data_6rc7_residue ############################ # Computer software used # ############################ 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 6rc7 _Structure_validation_residue.Date_analyzed 2020-05-08 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 ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' N ' HG11 ' A' ' 34' ' ' VAL . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.512 ' CE2' HG11 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG11 ' CE1' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 14' ' ' CYS . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' THR . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 51' ' ' TYR . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' CD1' ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.552 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.552 ' CE2' HG12 ' A' ' 49' ' ' VAL . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.48 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 51' ' ' TYR . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' CZ ' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD21 ' NH1' ' A' ' 36' ' ' ARG . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.404 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 14' ' ' CYS . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.405 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE2' HG11 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.447 ' HG2' ' CG1' ' A' ' 49' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.475 ' CG ' HG12 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CG ' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 24' ' ' MET . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.535 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HD3' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.402 ' CE ' HG22 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG22 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.498 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HD3' ' CG2' ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . 0.421 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.491 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.421 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.534 ' CG1' ' CZ ' ' A' ' 51' ' ' TYR . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.436 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.493 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 49' ' ' VAL . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 51' ' ' TYR . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 51' ' ' TYR . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.441 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 49' ' ' VAL . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.515 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.468 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' N ' HG11 ' A' ' 34' ' ' VAL . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.507 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.507 ' CZ ' HG12 ' A' ' 49' ' ' VAL . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.505 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 35' ' ' LYS . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.531 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG21 ' CE ' ' A' ' 26' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HG2' ' NH2' ' A' ' 36' ' ' ARG . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.518 HG11 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CE2' HG11 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.455 HG23 ' CD2' ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD2' HG23 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 51' ' ' TYR . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' N ' HG11 ' A' ' 34' ' ' VAL . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.512 ' CE2' HG11 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.555 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG11 ' CE1' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 14' ' ' CYS . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' HG23 ' A' ' 13' ' ' THR . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.515 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 51' ' ' TYR . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 ' CD1' ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' CD1' ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.552 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.552 ' CE2' HG12 ' A' ' 49' ' ' VAL . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.48 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.458 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 51' ' ' TYR . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 36' ' ' ARG . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' CZ ' HD21 ' A' ' 6' ' ' LEU . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HG3' ' CD1' ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' CG1' ' CZ ' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD21 ' NH1' ' A' ' 36' ' ' ARG . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.554 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.501 HG23 ' CE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.501 ' CE1' HG23 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.566 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 28' ' ' SER . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 27' ' ' VAL . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.56 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' VAL . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.404 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 14' ' ' CYS . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.405 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.425 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG11 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.555 ' CE2' HG11 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.447 ' HG2' ' CG1' ' A' ' 49' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.475 ' CG ' HG12 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 HG12 ' CG ' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' O ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 ' CG1' ' HG2' ' A' ' 24' ' ' MET . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.535 ' HG2' ' CE1' ' A' ' 51' ' ' TYR . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' N ' HG12 ' A' ' 34' ' ' VAL . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HD3' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.402 ' CE ' HG22 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG22 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.498 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.475 ' CG2' ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.475 ' HD3' ' CG2' ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG13 ' CZ ' ' A' ' 51' ' ' TYR . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.421 ' CD2' ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.491 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.421 ' SG ' ' CD2' ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.552 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.443 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.534 ' CG1' ' CZ ' ' A' ' 51' ' ' TYR . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.493 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 49' ' ' VAL . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.422 HG12 ' CE2' ' A' ' 51' ' ' TYR . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.517 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 51' ' ' TYR . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.441 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.57 ' CE1' HG11 ' A' ' 49' ' ' VAL . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.406 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.55 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG12 ' N ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' N ' HG12 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.515 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.515 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.416 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.468 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' N ' HG11 ' A' ' 34' ' ' VAL . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG12 ' CZ ' ' A' ' 51' ' ' TYR . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.507 ' CZ ' HG12 ' A' ' 49' ' ' VAL . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.505 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.531 HG12 ' N ' ' A' ' 35' ' ' LYS . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.531 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG21 ' CE ' ' A' ' 26' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.421 ' HG2' ' NH2' ' A' ' 36' ' ' ARG . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.421 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.518 HG11 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CE2' HG11 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.685 HG22 HD22 ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.604 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.674 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' HD13 ' A' ' 39' ' ' ILE . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' HG13 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 9' ' ' LEU . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.752 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 49' ' ' VAL . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.642 HD13 ' HD3' ' A' ' 43' ' ' PRO . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 26' ' ' MET . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.919 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.919 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 51' ' ' TYR . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' THR . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.708 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 ' CG ' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.614 HD13 ' HD3' ' A' ' 43' ' ' PRO . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.614 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HD3' HD13 ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG12 ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG13 ' HE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE1' HG13 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 19' ' ' ASN . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 1' ' ' LEU . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.609 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' HD13 ' A' ' 39' ' ' ILE . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 HG11 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.796 HG22 HD22 ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.796 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.61 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 13' ' ' THR . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.64 HG21 ' HD3' ' A' ' 43' ' ' PRO . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' HD11 ' A' ' 1' ' ' LEU . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p30 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.699 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.917 ' HG3' HG11 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.917 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' NE ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.702 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' H ' HG23 ' A' ' 39' ' ' ILE . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.702 ' HD3' HG21 ' A' ' 39' ' ' ILE . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.42 ' HG ' ' HE1' ' A' ' 51' ' ' TYR . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 51' ' ' TYR . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.685 HG23 ' HD3' ' A' ' 50' ' ' LYS . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.603 HD23 ' SG ' ' A' ' 21' ' ' CYS . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.821 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 40' ' ' ASP . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 1' ' ' LEU . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.667 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.821 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG13 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 13' ' ' THR . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.638 ' CE ' HG21 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG21 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.834 HG21 ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 25' ' ' PHE . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.452 HD23 ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.677 HD12 ' NH2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 13' ' ' THR . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.751 ' SD ' HG22 ' A' ' 49' ' ' VAL . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.677 ' NH2' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.865 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.865 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.751 HG22 ' SD ' ' A' ' 26' ' ' MET . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.447 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.493 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' HG3' ' A' ' 43' ' ' PRO . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.794 ' HG3' HD13 ' A' ' 39' ' ' ILE . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' CE ' ' A' ' 26' ' ' MET . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 56' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 40' ' ' ASP . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.425 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 2' ' ' LYS . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 13' ' ' THR . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 1' ' ' LEU . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.478 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 25' ' ' PHE . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' C ' HD11 ' A' ' 1' ' ' LEU . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 9' ' ' LEU . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.633 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' THR . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.581 ' HG3' HG21 ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.86 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.86 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.784 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.485 HD23 ' SG ' ' A' ' 21' ' ' CYS . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 HD23 ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG11 ' SD ' ' A' ' 24' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 9' ' ' LEU . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.573 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HG3' HD13 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG12 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.685 HG22 HD22 ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.674 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' HD13 ' A' ' 39' ' ' ILE . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' HG13 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 9' ' ' LEU . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.752 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 49' ' ' VAL . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.642 HD13 ' HD3' ' A' ' 43' ' ' PRO . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 26' ' ' MET . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.919 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.919 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 51' ' ' TYR . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' THR . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.708 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 ' CG ' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.614 HD13 ' HD3' ' A' ' 43' ' ' PRO . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.614 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HD3' HD13 ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG12 ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG13 ' HE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE1' HG13 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 19' ' ' ASN . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 1' ' ' LEU . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.609 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' HD13 ' A' ' 39' ' ' ILE . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 HG11 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.796 HG22 HD22 ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.796 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.61 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 13' ' ' THR . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.64 HG21 ' HD3' ' A' ' 43' ' ' PRO . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' HD11 ' A' ' 1' ' ' LEU . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 15.3 p30 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.699 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.917 ' HG3' HG11 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.917 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' NE ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.702 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' H ' HG23 ' A' ' 39' ' ' ILE . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.702 ' HD3' HG21 ' A' ' 39' ' ' ILE . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.42 ' HG ' ' HE1' ' A' ' 51' ' ' TYR . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 51' ' ' TYR . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.685 HG23 ' HD3' ' A' ' 50' ' ' LYS . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.603 HD23 ' SG ' ' A' ' 21' ' ' CYS . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.821 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 40' ' ' ASP . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 1' ' ' LEU . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.667 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.821 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG13 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 13' ' ' THR . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.638 ' CE ' HG21 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG21 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.834 HG21 ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 25' ' ' PHE . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.452 HD23 ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.677 HD12 ' NH2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 13' ' ' THR . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.751 ' SD ' HG22 ' A' ' 49' ' ' VAL . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.677 ' NH2' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.865 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.865 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.751 HG22 ' SD ' ' A' ' 26' ' ' MET . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.447 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.493 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' HG3' ' A' ' 43' ' ' PRO . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.794 ' HG3' HD13 ' A' ' 39' ' ' ILE . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' CE ' ' A' ' 26' ' ' MET . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 56' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 40' ' ' ASP . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 2' ' ' LYS . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 13' ' ' THR . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 1' ' ' LEU . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.478 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 25' ' ' PHE . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' C ' HD11 ' A' ' 1' ' ' LEU . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 9' ' ' LEU . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.633 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' THR . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.581 ' HG3' HG21 ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.86 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.86 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.784 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.485 HD23 ' SG ' ' A' ' 21' ' ' CYS . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 HD23 ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG11 ' SD ' ' A' ' 24' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 9' ' ' LEU . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HG3' HD13 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG12 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.685 HG22 HD22 ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.604 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.674 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' HD13 ' A' ' 39' ' ' ILE . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' HG13 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 9' ' ' LEU . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.752 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 49' ' ' VAL . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.642 HD13 ' HD3' ' A' ' 43' ' ' PRO . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 26' ' ' MET . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.919 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.919 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 51' ' ' TYR . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' THR . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.708 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 ' CG ' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.614 HD13 ' HD3' ' A' ' 43' ' ' PRO . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.614 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HD3' HD13 ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG12 ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG13 ' HE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE1' HG13 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 19' ' ' ASN . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 1' ' ' LEU . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.474 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.609 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' HD13 ' A' ' 39' ' ' ILE . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 HG11 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.796 HG22 HD22 ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.796 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.61 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 13' ' ' THR . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.64 HG21 ' HD3' ' A' ' 43' ' ' PRO . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' HD11 ' A' ' 1' ' ' LEU . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.699 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.917 ' HG3' HG11 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.917 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.474 ' NE ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.702 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' H ' HG23 ' A' ' 39' ' ' ILE . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.702 ' HD3' HG21 ' A' ' 39' ' ' ILE . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.42 ' HG ' ' HE1' ' A' ' 51' ' ' TYR . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 51' ' ' TYR . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.685 HG23 ' HD3' ' A' ' 50' ' ' LYS . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.603 HD23 ' SG ' ' A' ' 21' ' ' CYS . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.821 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 40' ' ' ASP . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 1' ' ' LEU . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.667 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.821 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG13 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 13' ' ' THR . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.638 ' CE ' HG21 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.638 HG21 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.834 HG21 ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 25' ' ' PHE . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.452 HD23 ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.677 HD12 ' NH2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 13' ' ' THR . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.751 ' SD ' HG22 ' A' ' 49' ' ' VAL . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.677 ' NH2' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.865 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.865 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.751 HG22 ' SD ' ' A' ' 26' ' ' MET . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.447 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.493 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' HG3' ' A' ' 43' ' ' PRO . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.794 ' HG3' HD13 ' A' ' 39' ' ' ILE . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' CE ' ' A' ' 26' ' ' MET . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 56' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 40' ' ' ASP . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.541 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.425 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 2' ' ' LYS . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 13' ' ' THR . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 1' ' ' LEU . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.478 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 25' ' ' PHE . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' C ' HD11 ' A' ' 1' ' ' LEU . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 9' ' ' LEU . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.633 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' THR . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.55 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.581 ' HG3' HG21 ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.86 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.86 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.784 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.485 HD23 ' SG ' ' A' ' 21' ' ' CYS . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 HD23 ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.628 HG11 ' SD ' ' A' ' 24' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 9' ' ' LEU . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.573 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HG3' HD13 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.526 HG12 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -126.67 146.72 50.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 3.8 m -125.67 149.61 48.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 108.305 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -73.58 164.01 27.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -93.73 -168.77 1.95 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 109.304 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.19 -44.37 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.685 HG22 HD22 ' A' ' 9' ' ' LEU . 1.4 mm -94.92 111.65 55.29 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.372 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.06 73.67 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -176.13 -36.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -92.01 148.92 21.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -145.82 165.01 30.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.87 142.66 22.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 m -70.57 148.48 48.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.431 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.595 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 m -77.12 113.64 32.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 108.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -46.91 -177.54 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.59 117.16 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.62 -29.08 13.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.2 mttm -95.98 108.02 20.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 0.791 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -127.12 15.71 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.36 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mt -126.2 155.01 42.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 94.5 m -108.28 146.8 32.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.55 1.156 . . . . 0.0 108.263 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.21 162.98 34.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 111.01 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 16.4 ptpt -144.23 133.7 23.34 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.582 ' O ' HG12 ' A' ' 34' ' ' VAL . 2.1 ttp -102.91 115.77 31.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.4 m-85 -111.56 146.16 37.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.1 mmt -112.46 142.08 45.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.29 -37.75 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -43.21 -37.72 2.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.384 1.052 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -162.52 89.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -75.13 -1.78 24.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -97.08 -7.8 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.1 t -140.25 132.39 14.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.256 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 72.0 Cg_endo -66.98 155.57 70.23 Favored 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -113.13 -30.44 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -152.45 148.8 27.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.431 ' HB3' ' ND2' ' A' ' 60' ' ' ASN . 25.3 mtm180 -143.95 138.8 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.29 -168.46 36.47 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.448 1.093 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.147 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 79.5 m -105.35 162.63 13.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.674 HD13 ' HD3' ' A' ' 43' ' ' PRO . 5.4 tt -146.72 158.03 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.423 1.077 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -83.56 -48.44 10.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.62 137.51 54.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.1 t -58.08 115.94 12.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' HD3' HD13 ' A' ' 39' ' ' ILE . 59.9 Cg_endo -64.88 178.95 1.57 Allowed 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.188 3.111 . . . . 0.0 120.188 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.32 134.5 43.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -76.43 151.86 36.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.1 174.94 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.037 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -37.21 26.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -84.25 -54.17 4.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.3 p -110.07 125.06 67.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.87 124.97 49.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.575 ' CE2' HG13 ' A' ' 49' ' ' VAL . 97.4 m-85 -105.29 130.95 53.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 111.057 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 41.1 t -126.24 124.54 65.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.1 p -107.76 156.0 19.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 108.294 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.96 156.13 40.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 108.348 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -117.92 35.46 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.3 166.78 13.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.67 141.84 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 39.11 38.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.245 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.7 p -64.96 -49.22 71.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 108.289 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.499 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -125.02 146.1 49.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 4.0 m -127.21 149.56 49.93 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 108.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -71.24 163.58 27.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mmmt -95.34 -167.99 1.71 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.73 -41.91 98.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.821 HG22 HD22 ' A' ' 9' ' ' LEU . 11.3 mt -99.01 122.57 52.11 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.1 Cg_endo -56.01 70.96 0.03 OUTLIER 'Trans proline' 0 CA--C 1.566 2.112 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 HG22 ' A' ' 7' ' ' ILE . 1.2 pt? -175.56 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.752 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -96.44 132.49 41.94 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -131.19 166.63 20.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 13' ' ' THR . 4.3 ttpt -152.47 144.11 23.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.6 m -69.25 148.87 49.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.584 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 12.9 m -76.42 113.33 27.75 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 108.291 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 63.7 Cg_exo -47.05 -176.83 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.173 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.41 115.18 5.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.6 -29.58 11.61 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.494 1.122 . . . . 0.0 110.957 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.7 mttm -96.91 107.71 20.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 0.799 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -124.7 10.19 8.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -119.67 156.58 30.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 65.1 m -107.43 146.57 31.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.178 . . . . 0.0 108.304 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -141.57 163.81 31.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 111.067 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 25' ' ' PHE . 26.7 pttt -147.11 130.25 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.47 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -102.93 115.38 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.102 . . . . 0.0 110.971 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.554 ' CD1' ' HG3' ' A' ' 23' ' ' LYS . 4.9 m-85 -117.01 146.14 43.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -113.95 141.04 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.52 -38.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.2 p -40.44 -37.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -165.39 91.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -4.02 29.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.213 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.9 m -100.4 -4.68 28.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.348 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -137.47 117.16 10.27 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 69.9 Cg_endo -66.74 154.99 72.56 Favored 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.33 -35.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.44 148.45 36.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 1.0 OUTLIER -158.0 140.06 14.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.352 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.2 -160.07 27.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 60.4 m -105.22 155.96 18.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.7 tt -146.18 158.65 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.79 -40.68 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.598 1.187 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -115.69 166.83 11.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 109.337 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.6 t -93.24 115.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.345 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.48 ' HB2' ' CB ' ' A' ' 51' ' ' TYR . 59.2 Cg_exo -46.88 -178.92 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.69 118.65 35.6 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -57.4 151.53 16.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -128.72 174.99 8.95 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.439 1.087 . . . . 0.0 110.011 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.482 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -82.24 -27.8 32.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.664 1.228 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 -48.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG11 ' CZ ' ' A' ' 51' ' ' TYR . 38.0 t -93.88 152.31 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.424 1.077 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.17 118.99 16.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.531 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 19.5 m-85 -111.12 126.79 55.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.21 128.56 75.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.067 . . . . 0.0 109.316 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 16.8 p -108.6 142.95 38.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 108.284 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -136.93 159.78 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.231 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -117.61 32.15 6.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.23 170.75 8.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.439 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.3 OUTLIER -85.45 146.56 26.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.4 mtp180 38.14 31.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' ASP . 25.9 p -62.54 -48.12 80.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.581 1.176 . . . . 0.0 108.335 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.32 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -126.99 144.07 51.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.0 m -124.52 146.44 48.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 108.283 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -72.34 163.72 27.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.8 mmmm -95.28 -168.46 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 tt -62.15 -42.13 98.96 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 31.8 mt -98.5 122.58 53.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.593 1.183 . . . . 0.0 109.258 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 36.6 Cg_endo -55.77 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.3 -34.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.68 137.95 34.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -137.4 165.98 24.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 111.036 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.5 146.13 25.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.417 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 16.7 m -68.16 145.99 53.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.471 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.3 m -76.62 113.0 25.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 108.296 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.0 Cg_exo -47.75 -177.73 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 117.51 6.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.376 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.01 -28.9 13.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 7.4 mtmt -96.56 108.61 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -130.45 15.02 5.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 0.6 OUTLIER -124.37 154.53 40.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 33.5 m -106.92 146.07 31.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 108.295 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.51 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -145.7 162.93 36.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CE2' ' A' ' 25' ' ' PHE . 29.5 pttt -146.52 130.48 17.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.505 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -103.2 122.5 44.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 111.04 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CE2' ' HD2' ' A' ' 23' ' ' LYS . 5.4 m-85 -118.62 145.62 45.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.569 1.168 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.449 ' SD ' HG22 ' A' ' 49' ' ' VAL . 28.1 mmm -109.72 141.81 41.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.74 -32.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.3 m -49.35 -33.86 14.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -165.56 90.74 0.48 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -3.44 29.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -99.35 -5.49 29.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.6 t -137.98 124.76 13.32 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' CB ' ' HD2' ' A' ' 36' ' ' ARG . 73.2 Cg_endo -67.0 154.85 73.3 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -114.5 -34.32 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -146.46 147.65 31.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HD2' ' CB ' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 140.16 19.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.14 -160.09 28.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 20' ' ' LEU . 64.4 m -106.67 163.61 12.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.642 HD13 ' HD3' ' A' ' 43' ' ' PRO . 7.4 tt -146.26 158.13 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -75.87 -48.02 23.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.58 158.47 40.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.0 t -68.34 113.4 15.11 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.642 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.0 Cg_endo -65.56 -179.43 1.22 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 123.15 37.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -73.81 151.72 40.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.3 m -126.31 174.47 8.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.505 1.128 . . . . 0.0 110.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.532 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.3 OUTLIER -83.26 -42.67 16.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.03 -34.41 50.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.449 HG22 ' SD ' ' A' ' 26' ' ' MET . 38.9 t -127.35 122.95 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -98.66 122.37 41.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.505 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 54.0 m-85 -107.04 121.43 44.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 69.2 t -122.51 127.6 75.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 14.2 p -111.02 158.13 19.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.14 156.16 38.1 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 108.383 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 -113.02 36.58 3.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.71 168.99 9.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.92 140.36 29.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.43 28.51 1.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.7 p -65.94 -49.11 69.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 108.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.587 1.18 . . . . 0.0 109.344 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -126.8 155.81 42.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 58.2 m -129.62 145.3 51.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 108.343 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.487 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.5 t-20 -74.91 164.2 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -91.56 -169.52 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.59 -40.05 92.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.5 mt -98.29 109.13 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 76.9 Cg_exo -45.1 71.46 0.01 OUTLIER 'Trans proline' 0 CA--C 1.569 2.248 0 N-CA-C 120.063 3.063 . . . . 0.0 120.063 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -172.74 -37.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.288 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.91 142.5 27.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -141.74 165.99 25.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 13' ' ' THR . 14.1 ttpt -152.63 144.04 23.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 15.8 m -67.23 146.89 53.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.407 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 19.9 m -76.69 113.19 27.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 13' ' ' THR . 55.5 Cg_exo -47.61 -177.65 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 116.97 5.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.35 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.61 -29.21 13.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 4.1 mtmt -95.25 106.72 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.57 0.806 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -128.8 18.13 6.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.5 mt -127.79 157.26 40.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 15.2 m -109.87 147.89 32.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.515 ' CD2' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -143.95 162.45 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.605 1.191 . . . . 0.0 111.018 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 2.2 ptpt -147.7 128.03 13.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.405 1.066 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.5 mtp -102.89 118.48 36.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 23' ' ' LYS . 3.6 m-85 -112.83 145.62 40.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -109.67 141.89 41.6 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -34.4 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.3 t -46.27 -34.29 4.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -165.98 91.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.38 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.31 -2.94 27.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.7 m -101.16 -4.75 26.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.1 t -139.28 123.14 11.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.495 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 71.3 Cg_endo -66.97 156.19 67.45 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -116.97 -35.78 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -142.59 143.75 32.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -153.38 139.97 18.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.66 -158.59 23.13 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.539 1.149 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.5 m -105.65 162.16 13.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.919 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.4 tt -146.88 158.02 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.77 -41.91 35.86 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.34 163.78 29.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -74.36 115.77 46.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 108.312 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.919 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.3 Cg_endo -64.94 -179.32 0.97 Allowed 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.19 3.112 . . . . 0.0 120.19 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -95.35 115.67 27.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.331 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -66.64 151.39 47.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m -123.99 174.74 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.027 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.426 ' O ' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -79.88 -47.2 15.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mp -78.37 -35.51 47.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 HG12 ' CE2' ' A' ' 51' ' ' TYR . 46.1 t -118.55 122.49 69.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -102.04 120.65 40.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 51' ' ' TYR . 9.3 m-85 -101.23 130.25 47.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.064 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 44.9 t -129.98 122.44 54.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.1 p -111.95 154.92 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 108.292 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -143.78 158.71 43.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 108.315 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -113.04 37.93 2.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.1 169.39 13.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.78 146.78 24.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 38.69 49.97 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.265 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 25.0 p -93.79 -39.5 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.487 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.92 148.15 45.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.3 m -126.53 148.85 49.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 108.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -73.07 163.38 28.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 9.8 mmmt -92.53 -167.95 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.23 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 tt -65.47 -39.77 92.38 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.553 1.158 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 16.8 mt -98.88 108.75 50.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 67.1 Cg_exo -45.93 72.91 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.107 3.08 . . . . 0.0 120.107 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.08 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.374 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -97.68 133.84 41.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -129.39 166.85 18.73 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.35 147.56 26.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 62.9 m -67.5 147.64 52.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 110.433 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 12.1 m -76.78 113.12 26.89 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' THR . 60.5 Cg_exo -47.15 -177.04 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.107 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.54 117.37 7.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.403 1.065 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.87 -29.36 12.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.453 1.095 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 16.4 mttt -95.01 103.92 15.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -124.07 11.25 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -122.32 153.56 38.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.4 m -105.34 140.04 39.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.7 OUTLIER -135.62 164.25 28.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.573 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -147.52 130.26 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.663 ' CG ' ' CE2' ' A' ' 51' ' ' TYR . 0.1 OUTLIER -102.79 108.86 20.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.648 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.72 146.49 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.708 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -115.7 142.1 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.6 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -51.0 -41.41 22.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.293 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m -41.89 -38.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.972 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -169.25 90.41 0.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 12.7 mttm -67.69 -36.75 81.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -65.1 -9.7 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.468 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.9 107.59 16.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HG3' ' CZ ' ' A' ' 36' ' ' ARG . 74.4 Cg_endo -67.31 153.53 76.79 Favored 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 ' CG ' ' A' ' 26' ' ' MET . 1.2 m -110.46 -35.39 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' CB ' ' A' ' 24' ' ' MET . 0.0 OUTLIER -139.59 147.13 40.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.492 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -159.73 134.41 7.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.35 -157.28 23.8 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.2 m -108.84 160.05 16.3 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.614 HD13 ' HD3' ' A' ' 43' ' ' PRO . 8.0 tt -146.96 157.9 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.216 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -79.18 -46.89 17.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.503 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -121.42 164.07 17.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.7 t -89.79 113.08 55.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 108.32 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.614 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.9 Cg_endo -65.58 177.63 2.65 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.53 144.56 26.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -86.09 151.99 23.23 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -116.13 173.82 6.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.65 -37.09 50.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.27 -52.42 4.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -93.16 149.82 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 124.51 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.353 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.663 ' CE2' ' CG ' ' A' ' 24' ' ' MET . 32.6 m-85 -109.59 120.92 43.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 67.4 t -115.03 137.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 5.7 m -110.16 161.31 15.7 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.522 1.139 . . . . 0.0 108.32 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.04 155.45 36.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 108.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.6 p30 -114.32 37.7 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.01 167.97 16.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.94 148.57 25.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.105 . . . . 0.0 109.358 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 41.24 53.8 3.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.457 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.3 p -97.37 -43.61 7.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.319 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -123.22 145.65 48.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.6 m -129.48 146.7 51.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 0.0 108.297 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.7 t-20 -71.22 163.87 26.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 1.9 mmmm -91.67 -167.86 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.5 tt -66.73 -38.96 87.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 9' ' ' LEU . 14.8 mt -99.33 108.61 51.08 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 65.5 Cg_exo -45.81 73.08 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.171 0 N-CA-C 120.197 3.114 . . . . 0.0 120.197 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.98 -36.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.336 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -99.42 135.51 40.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -128.01 167.32 16.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -152.45 144.56 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 54.4 m -70.74 148.35 48.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 20.9 m -76.82 112.73 24.19 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 108.251 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.9 Cg_exo -47.96 -177.45 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.156 3.098 . . . . 0.0 120.156 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.95 124.11 19.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.244 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.01 -22.82 27.04 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 3.6 mtmm -102.36 107.94 19.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -131.38 12.43 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.31 156.36 31.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 76.5 m -110.31 141.69 42.97 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.33 162.69 31.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 111.014 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.433 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 14.7 ptpt -147.71 127.11 13.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.452 1.095 . . . . 0.0 109.347 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.2 mtm -103.2 114.97 29.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.702 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.1 m-85 -107.77 144.36 35.03 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.7 143.37 37.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.31 -35.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.3 m -48.64 -35.9 14.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' VAL . 14.8 t-20 -171.82 86.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.702 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 38.0 mttp -66.37 -39.16 88.94 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.2 m -57.51 -15.53 7.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 29' ' ' ASN . 44.3 t -125.82 119.46 24.17 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -64.96 147.9 89.41 Favored 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -112.78 -36.82 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -141.7 144.5 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -158.47 141.41 14.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.46 -159.09 25.84 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.9 m -105.38 154.75 19.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ALA . 8.3 tt -146.77 158.81 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -86.68 -44.04 12.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -114.31 166.94 11.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.2 t -95.28 111.42 55.03 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.456 ' HD3' HD13 ' A' ' 39' ' ' ILE . 51.0 Cg_exo -48.8 -179.81 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.129 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.38 108.89 20.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.5 p30 -52.95 150.18 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -137.04 174.95 10.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.73 -31.32 19.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 48' ' ' LEU . 4.3 mm? -88.32 -40.45 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG12 ' CE1' ' A' ' 51' ' ' TYR . 86.1 t -120.91 118.14 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.229 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 119.19 33.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.362 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CE1' HG12 ' A' ' 49' ' ' VAL . 47.0 m-85 -107.25 126.08 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 63.3 t -125.86 136.87 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 32.4 m -109.84 162.1 14.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.12 155.65 31.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 108.33 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -122.15 31.58 6.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.98 172.09 7.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.36 137.18 32.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 47.39 36.48 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 17.7 p -64.66 -48.57 74.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 108.341 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -124.12 147.25 48.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.8 m -126.72 147.87 49.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.163 . . . . 0.0 108.337 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.47 162.89 28.72 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -93.09 -167.88 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.4 tt -64.79 -42.85 94.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.0 mm -96.64 109.88 50.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 68.2 Cg_exo -46.01 73.23 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.196 0 N-CA-C 120.087 3.072 . . . . 0.0 120.087 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.59 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -95.41 137.33 34.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -134.5 164.65 26.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.13 149.19 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.243 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.9 m -70.68 148.17 48.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 18.8 m -76.49 112.62 22.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 108.288 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 54.5 Cg_exo -47.87 -177.59 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.091 3.074 . . . . 0.0 120.091 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.21 124.82 21.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.47 -23.88 22.71 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.576 1.172 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 11.8 mtmm -101.42 105.24 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -126.69 10.15 7.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -122.85 154.43 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 68.6 m -104.55 152.4 22.45 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.259 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.578 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 0.7 OUTLIER -147.62 161.1 41.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 18.3 ptpt -146.32 130.92 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.578 ' CE ' ' CE2' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -102.19 117.45 34.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.554 1.158 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.8 m-85 -113.95 145.65 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 94.7 mmm -112.38 143.06 44.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.12 -37.38 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.3 t -42.88 -35.79 1.3 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.135 . . . . 0.0 109.988 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -165.71 91.83 0.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 109.238 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -74.84 -2.09 25.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.358 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.0 m -98.67 -5.17 32.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 110.477 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -140.52 127.99 12.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.578 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 70.3 Cg_endo -66.84 156.41 66.2 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.15 -32.46 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.413 1.071 . . . . 0.0 109.262 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.72 148.64 29.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 35.5 mtm180 -147.48 140.14 24.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.266 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -171.61 44.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.07 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 86.9 m -105.61 155.16 19.49 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 41' ' ' ALA . 4.0 tt -146.66 159.27 10.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -74.74 -58.07 3.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -107.22 155.07 20.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 23.3 t -73.19 123.91 90.03 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 47.6 Cg_exo -52.55 -175.62 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -111.34 108.69 18.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 40.2 p-10 -55.86 151.83 10.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.37 174.8 10.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.2 tt -80.62 -42.3 22.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.89 -55.39 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG13 ' HE1' ' A' ' 51' ' ' TYR . 4.1 p -105.64 125.62 60.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 109.371 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -103.1 132.55 49.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' HE1' HG13 ' A' ' 49' ' ' VAL . 35.5 m-85 -110.58 133.93 52.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 12.0 t -132.51 122.28 47.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 0.0 109.224 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 17.8 p -110.88 152.96 26.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 108.31 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.91 158.01 43.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 108.249 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -116.92 36.8 4.04 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.03 166.3 14.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.78 139.92 33.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 44.21 39.81 3.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.6 p -74.2 -48.27 30.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 108.301 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.458 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 19' ' ' ASN . 2.2 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -123.07 148.48 45.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.3 m -129.63 149.47 51.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 108.308 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.3 t-20 -77.71 163.85 25.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -94.35 -168.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.38 -41.9 94.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.17 . . . . 0.0 109.273 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mm -98.44 121.82 55.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.072 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -56.21 70.79 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.146 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.66 -34.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.11 121.5 37.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -124.83 165.73 17.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.68 146.02 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 12.0 m -69.0 147.73 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 11.0 m -77.06 112.7 24.68 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 13' ' ' THR . 50.9 Cg_exo -49.36 -178.3 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.64 119.44 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.36 -28.57 15.38 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.523 1.139 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 8.2 mttm -99.66 105.44 17.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.747 . . . . 0.0 109.228 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 1' ' ' LEU . 22.4 p-10 -125.62 17.06 8.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 109.37 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.7 mt -128.7 155.18 45.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 57.1 m -106.05 150.63 25.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -147.32 162.91 37.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 18.4 ptpt -147.6 134.0 19.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.651 ' O ' HG12 ' A' ' 34' ' ' VAL . 8.0 mtt -102.82 115.8 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.0 m-85 -115.82 145.64 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.5 141.97 45.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 111.061 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.474 HG11 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -47.29 -37.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t -42.81 -35.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -165.08 91.51 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -71.94 -4.91 31.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.6 m -99.51 -3.86 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.373 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.3 t -137.54 123.55 13.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 74.5 Cg_endo -67.24 156.13 67.58 Favored 'Trans proline' 0 CA--C 1.568 2.192 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 24' ' ' MET . 0.8 OUTLIER -111.83 -29.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.325 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -156.78 153.64 28.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.495 ' CZ ' ' HG3' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -151.37 141.98 22.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.11 -167.92 39.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.2 m -105.2 159.54 15.78 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.609 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -145.56 158.42 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -83.8 -45.21 13.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.73 145.95 47.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.1 t -70.55 116.9 50.11 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 108.274 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.609 ' HD3' HD13 ' A' ' 39' ' ' ILE . 58.2 Cg_endo -64.08 -177.01 0.41 Allowed 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.09 3.073 . . . . 0.0 120.09 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -100.22 136.29 40.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -76.49 151.85 36.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.6 m -120.91 174.46 6.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.043 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -55.57 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.474 HD23 HG11 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -77.31 -49.32 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -94.55 152.67 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -141.7 119.13 11.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.347 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CE2' ' HG2' ' A' ' 24' ' ' MET . 34.3 m-85 -102.6 124.64 48.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 24.7 t -109.84 134.32 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.69 154.67 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 108.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -158.52 156.08 29.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.416 1.073 . . . . 0.0 108.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.0 p-10 -123.54 43.51 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.04 166.13 14.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.57 130.15 38.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 46.07 45.15 12.32 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 15.1 p -68.65 -49.45 58.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 108.287 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.368 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.5 HD11 ' O ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -92.25 127.49 37.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.247 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.7 m -130.43 149.71 51.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 108.284 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 1.6 t-20 -73.47 165.8 24.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.454 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -95.56 -168.12 1.72 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 tt -65.3 -42.16 93.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.796 HG22 HD22 ' A' ' 9' ' ' LEU . 7.0 mt -95.22 110.15 48.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 53.7 Cg_exo -47.69 72.8 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.796 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -176.13 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.61 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -99.08 132.72 44.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -124.25 166.96 14.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 ttpp -152.41 145.08 24.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.3 m -71.34 146.87 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 81.7 m -76.26 112.86 23.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 13' ' ' THR . 58.6 Cg_exo -47.43 -178.95 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.23 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.68 134.63 51.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.28 -18.48 32.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -100.35 103.27 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.5 p-10 -118.41 8.28 12.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 12.4 mt -126.86 159.11 34.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.8 m -130.11 143.13 50.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -133.45 164.32 27.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.985 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HE3' ' CZ ' ' A' ' 25' ' ' PHE . 18.3 pttt -146.0 132.04 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.247 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.588 ' O ' HG12 ' A' ' 34' ' ' VAL . 5.4 mtp -102.18 111.54 23.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.657 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -110.65 140.42 45.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtp -99.39 136.55 39.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.48 -33.22 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.7 m -52.19 -35.45 49.13 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.514 1.134 . . . . 0.0 110.079 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -165.35 87.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 17.3 mttt -69.07 -37.17 78.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -14.88 8.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.59 1.181 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.2 t -126.6 117.95 22.83 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 67.6 Cg_endo -65.88 154.82 72.35 Favored 'Trans proline' 0 CA--C 1.567 2.141 0 N-CA-C 120.116 3.083 . . . . 0.0 120.116 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -112.34 -33.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.394 1.059 . . . . 0.0 109.349 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -153.01 146.78 25.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.09 128.72 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.54 -167.71 30.47 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.63 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 76.0 m -105.52 147.2 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.64 HG21 ' HD3' ' A' ' 43' ' ' PRO . 16.8 tt -147.48 158.15 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 41' ' ' ALA . 17.2 p30 -86.41 -42.0 13.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' ' OD1' ' A' ' 40' ' ' ASP . . . -108.34 132.39 53.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.2 t -66.83 111.75 7.81 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 108.27 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.64 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.8 178.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.207 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.23 134.0 41.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 12.3 p30 -80.79 151.68 28.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -128.45 174.73 9.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -85.81 -34.0 21.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.172 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.05 -40.21 14.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 39.4 t -115.69 124.32 71.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 122.62 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -103.97 118.4 36.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.7 t -115.5 135.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 98.1 m -108.45 142.67 38.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 108.299 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.1 p -145.28 155.89 43.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' O ' HD11 ' A' ' 1' ' ' LEU . 48.8 p-10 -131.64 35.0 3.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p -114.17 172.13 7.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.57 135.69 40.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 48.64 24.37 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 7.0 p -48.6 -47.48 39.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 108.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.699 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.9 tp . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.89 143.7 46.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 56.0 m -120.91 145.77 47.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 108.277 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.7 t-20 -71.8 163.19 28.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.36 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -95.15 -167.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.61 -42.81 99.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 10.3 mt -98.25 123.63 50.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.04 70.53 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.42 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.38 134.52 36.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -136.47 163.64 30.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.64 143.78 23.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.427 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 22.8 m -67.76 148.3 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.456 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.6 m -76.34 112.61 22.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 108.31 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 13' ' ' THR . 53.3 Cg_exo -48.26 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.161 3.1 . . . . 0.0 120.161 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.47 120.61 11.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.21 -27.0 20.43 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.057 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 12.4 mtmt -100.05 107.47 19.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 0.725 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.699 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.5 p30 -128.37 9.94 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -117.4 155.78 29.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.429 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 50.4 m -107.16 146.94 30.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 108.271 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.534 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -139.9 161.47 37.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.583 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 11.9 ptpt -148.49 129.67 14.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.439 ' O ' HG12 ' A' ' 34' ' ' VAL . 11.8 mtt -103.3 112.09 24.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.647 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 3.3 m-85 -108.68 143.71 37.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.406 ' CG ' ' HB ' ' A' ' 34' ' ' VAL . 17.7 mmm -107.93 142.86 37.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -40.2 50.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 96.6 p -46.14 -35.98 5.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 32' ' ' VAL . 26.2 t-20 -167.07 89.29 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.647 ' O ' ' CD1' ' A' ' 25' ' ' PHE . 27.8 mttt -69.14 -37.87 78.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 m -61.1 -13.17 15.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 29' ' ' ASN . 43.7 t -127.13 116.55 21.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.438 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 66.5 Cg_endo -65.45 150.52 86.82 Favored 'Trans proline' 0 CA--C 1.569 2.227 0 N-CA-C 120.076 3.068 . . . . 0.0 120.076 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -108.38 -34.1 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.7 150.79 33.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 33' ' ' PRO . 0.0 OUTLIER -157.94 145.65 18.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 169.4 -162.0 35.55 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m -104.92 156.03 18.4 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 41' ' ' ALA . 7.5 tt -146.5 158.55 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.65 -38.27 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.605 1.191 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -117.0 160.51 20.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.601 1.188 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.6 t -92.73 111.55 51.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.563 1.164 . . . . 0.0 108.309 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 51.1 Cg_exo -49.91 -177.74 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.174 3.106 . . . . 0.0 120.174 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.45 113.14 26.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -53.59 150.63 6.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.27 173.1 11.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 110.039 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.633 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -81.34 -34.93 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -85.09 -54.97 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG13 ' CE2' ' A' ' 51' ' ' TYR . 7.6 p -113.19 130.77 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 130.29 54.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.494 ' CE2' HG13 ' A' ' 49' ' ' VAL . 96.3 m-85 -104.35 124.49 49.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 111.089 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -120.98 133.47 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.6 m -114.14 155.18 26.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 108.331 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.73 156.54 37.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 108.279 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -118.79 34.64 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.74 166.3 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.92 140.87 35.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 45.37 30.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 13.9 p -63.05 -49.54 74.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -123.56 144.06 49.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.215 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -125.74 149.45 48.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -74.95 164.32 26.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -93.89 -168.22 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 1.6 tt -68.56 -39.58 81.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' LEU . 21.7 mt -98.19 108.83 49.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.082 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 78.4 Cg_exo -44.92 72.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.127 3.087 . . . . 0.0 120.127 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -174.5 -36.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.251 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -94.21 148.82 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -144.73 164.2 31.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.1 139.8 19.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.8 m -68.26 147.39 52.27 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.549 1.155 . . . . 0.0 110.377 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.9 m -88.28 119.36 70.24 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -46.25 -177.08 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.124 0 N-CA-C 120.193 3.113 . . . . 0.0 120.193 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.37 123.46 19.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 40' ' ' ASP . . . 102.01 -29.14 13.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -86.49 103.78 15.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -121.89 7.8 9.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.28 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.95 132.88 29.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.4 m -103.88 149.91 24.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.578 1.173 . . . . 0.0 108.309 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.557 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -128.67 161.36 29.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -136.42 131.27 33.9 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 109.337 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.532 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.0 ttm -101.99 128.25 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 111.063 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.606 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 7.1 m-85 -122.99 146.57 47.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.173 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.917 ' HG3' HG11 ' A' ' 34' ' ' VAL . 8.5 mmt -106.03 139.31 40.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.43 -31.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.0 m -47.46 -39.08 14.94 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -166.36 91.92 0.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -74.85 -2.75 28.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m -82.95 -16.09 48.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.0 t -141.36 134.52 14.4 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.571 1.17 . . . . 0.0 109.248 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.606 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.18 151.43 81.27 Favored 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.917 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.6 m -102.24 -34.69 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -158.52 160.96 37.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.474 ' NE ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -156.49 166.27 33.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.68 -175.13 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 100.0 m -104.55 152.36 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.702 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.0 tt -147.21 158.26 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 3.3 p30 -106.7 13.16 28.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.454 1.097 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' H ' HG23 ' A' ' 39' ' ' ILE . . . -167.05 116.43 0.85 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.3 t -49.22 111.69 2.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 108.327 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.702 ' HD3' HG21 ' A' ' 39' ' ' ILE . 62.8 Cg_endo -66.28 -179.46 1.49 Allowed 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.72 133.59 34.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 10.7 p30 -88.25 152.03 22.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.42 ' HG ' ' HE1' ' A' ' 51' ' ' TYR . 1.8 m -115.39 172.68 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.964 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.45 -56.17 4.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.226 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.24 -37.7 63.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.24 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 51' ' ' TYR . 42.1 t -109.27 118.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.685 ' HD3' HG23 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -98.1 135.93 39.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 6.6 m-85 -119.35 119.53 34.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.685 HG23 ' HD3' ' A' ' 50' ' ' LYS . 73.5 t -112.84 133.64 58.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -110.25 153.61 24.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.21 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.89 155.34 36.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -122.96 38.09 4.27 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.606 1.191 . . . . 0.0 109.359 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.96 170.41 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.373 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.68 142.32 34.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 43.46 28.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.4 p -58.01 -48.04 81.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.43 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.603 HD23 ' SG ' ' A' ' 21' ' ' CYS . 1.2 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.6 mtmt -128.47 143.99 51.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.7 m -128.61 149.72 50.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 108.344 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.2 t-20 -71.06 167.33 19.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 12' ' ' LYS . 3.8 mmmt -93.17 -168.48 1.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.821 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.8 tt -66.49 -44.07 83.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 9' ' ' LEU . 11.8 mt -94.3 110.69 50.02 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 76.9 Cg_exo -44.08 73.51 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.148 3.096 . . . . 0.0 120.148 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -175.58 -36.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.28 157.87 16.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 20.9 p90 -146.93 158.6 43.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.944 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' CG ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -146.27 139.13 25.54 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 10.2 m -69.38 148.46 49.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.152 . . . . 0.0 110.413 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.909 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 55.3 m -76.66 113.06 25.92 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.571 1.169 . . . . 0.0 108.244 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.1 Cg_exo -47.49 -177.78 0.0 OUTLIER 'Trans proline' 0 CA--C 1.566 2.111 0 N-CA-C 120.12 3.085 . . . . 0.0 120.12 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.98 117.66 4.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.65 -29.22 12.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -78.96 107.3 11.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 0.723 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -121.34 5.05 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 40' ' ' ASP . 37.7 mt -136.68 154.74 50.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.603 ' SG ' HD23 ' A' ' 1' ' ' LEU . 64.2 m -108.29 145.38 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.387 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -137.51 161.74 35.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.976 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 10.9 ptpt -143.2 134.37 25.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.406 1.066 . . . . 0.0 109.232 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.667 ' O ' HG12 ' A' ' 34' ' ' VAL . 1.5 mtm -102.63 117.77 35.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.584 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 4.4 m-85 -116.15 146.45 42.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.606 1.192 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.9 mtm -114.54 142.7 46.08 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.1 -37.99 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.0 t -41.64 -39.06 1.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 -163.32 89.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -2.95 28.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.587 1.179 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 45.1 m -94.88 -8.9 35.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.402 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -138.89 132.34 16.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 69.7 Cg_endo -66.53 156.0 67.56 Favored 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -112.67 -30.08 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HD3' ' NH1' ' A' ' 36' ' ' ARG . 2.1 mmtt -154.47 149.87 27.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.358 1.036 . . . . 0.0 109.353 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.821 ' NH1' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -143.88 139.19 29.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.133 . . . . 0.0 110.294 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.51 -176.98 44.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.115 . . . . 0.0 111.027 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.191 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 70.2 m -108.72 149.61 28.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.543 HG23 ' O ' ' A' ' 41' ' ' ALA . 5.9 tt -147.0 159.98 9.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.639 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -83.98 -54.72 4.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -94.25 151.35 19.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.1 t -87.0 114.9 60.58 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 108.348 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -48.67 -177.95 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.098 3.076 . . . . 0.0 120.098 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.72 111.71 23.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -54.94 150.89 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.39 173.43 11.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.89 -33.41 39.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.45 -58.16 2.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG13 ' CE2' ' A' ' 51' ' ' TYR . 6.3 p -106.05 125.51 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -107.75 122.25 46.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CE1' ' HG2' ' A' ' 24' ' ' MET . 87.2 m-85 -104.32 121.36 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.6 t -110.53 133.92 54.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.5 m -111.32 162.01 15.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -161.96 156.22 22.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.5 p30 -125.55 33.12 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.586 1.179 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.02 167.67 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.97 135.15 36.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.8 mtp180 46.7 38.67 6.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.2 p -63.61 -48.21 78.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -127.36 144.19 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.601 1.188 . . . . 0.0 109.228 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.7 m -124.7 149.36 47.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 1.4 t-20 -74.91 165.17 25.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.459 ' CD ' ' HD2' ' A' ' 12' ' ' LYS . 8.5 mmmt -92.84 -168.42 1.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.369 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD12 ' NH1' ' A' ' 36' ' ' ARG . 1.3 tt -68.4 -37.67 80.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 9' ' ' LEU . 2.2 mm -99.76 108.11 49.61 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 77.8 Cg_exo -44.64 73.14 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.152 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -97.2 144.29 27.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -137.74 167.0 22.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HD2' ' CD ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -152.36 140.33 20.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 3.8 m -69.81 148.69 48.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 10.8 m -76.46 113.39 28.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.165 . . . . 0.0 108.344 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 13' ' ' THR . 68.5 Cg_exo -46.87 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.078 3.069 . . . . 0.0 120.078 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.51 118.67 9.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.58 -29.29 12.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 40' ' ' ASP . 23.1 mttm -101.36 110.28 22.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -126.83 10.89 7.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.0 mt -122.5 151.97 40.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 1.169 . . . . 0.0 109.366 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.63 142.5 34.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.241 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.548 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -137.57 161.15 37.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.986 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.542 ' HD3' ' CE1' ' A' ' 25' ' ' PHE . 1.0 OUTLIER -138.42 130.73 28.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.219 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.449 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.1 mtp -102.66 116.34 32.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 3.7 m-85 -114.06 146.23 40.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.638 ' CE ' HG21 ' A' ' 34' ' ' VAL . 1.5 mtm -114.57 143.34 45.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.33 -37.73 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.3 p -43.04 -37.3 1.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -163.76 89.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.58 -1.91 26.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 m -96.13 -9.83 29.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -140.5 132.33 14.25 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.592 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 70.8 Cg_endo -66.76 150.7 83.39 Favored 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.117 3.084 . . . . 0.0 120.117 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.638 HG21 ' CE ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -104.49 -34.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.18 149.25 26.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -141.77 147.91 38.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.97 -172.88 45.84 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.9 m -105.75 157.44 17.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.834 HG21 ' HD3' ' A' ' 43' ' ' PRO . 10.8 tt -147.26 159.52 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 19.2 p-10 -82.34 -52.67 6.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.25 129.52 55.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -49.76 120.01 10.55 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 108.342 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.834 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.1 Cg_exo -47.78 -175.29 0.0 OUTLIER 'Trans proline' 0 CA--C 1.569 2.237 0 N-CA-C 120.065 3.064 . . . . 0.0 120.065 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -111.84 114.23 27.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -63.48 151.72 40.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.6 m -140.69 174.47 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.3 pp -84.57 -40.45 17.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.53 -46.09 23.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 25' ' ' PHE . 93.2 t -115.87 128.47 73.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.9 tptt -98.08 119.43 36.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CE1' HG12 ' A' ' 49' ' ' VAL . 60.7 m-85 -106.95 126.33 52.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.172 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.409 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 37.3 t -128.84 126.88 65.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -106.82 162.06 14.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 108.303 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.23 156.8 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 108.356 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 47.4 p-10 -121.49 33.49 5.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.41 166.09 14.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.93 149.46 29.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 38.81 50.46 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.591 1.182 . . . . 0.0 110.314 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 1.2 p -82.84 -48.31 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.29 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.1 p-10 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.452 HD23 ' SG ' ' A' ' 21' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -124.92 144.54 50.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 15.2 m -127.9 145.94 50.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.1 t-20 -77.91 165.33 24.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' A' ' 12' ' ' LYS . 19.8 mmtt -92.68 -167.71 1.8 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.677 HD12 ' NH2' ' A' ' 36' ' ' ARG . 1.7 tt -65.05 -40.95 95.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.7 mt -101.06 124.7 40.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 34.1 Cg_endo -54.72 69.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -171.88 -34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -92.79 140.86 29.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -144.95 159.11 43.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.57 1.169 . . . . 0.0 111.06 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HB2' ' CE ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -152.4 144.87 24.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 18.1 m -72.24 148.53 45.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.853 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 32.9 m -77.17 113.22 28.94 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 108.266 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 13' ' ' THR . 62.2 Cg_exo -47.12 -177.46 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.148 3.095 . . . . 0.0 120.148 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.9 120.46 11.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.06 17.4 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 21.5 mtmt -101.92 106.84 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -125.09 10.34 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mt -122.68 152.98 39.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.5 m -105.49 143.47 33.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.32 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.562 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -138.41 159.69 41.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -135.44 130.28 34.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.409 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 11.4 mtp -103.5 116.57 32.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CE2' ' HD3' ' A' ' 23' ' ' LYS . 4.5 m-85 -115.11 146.3 41.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.751 ' SD ' HG22 ' A' ' 49' ' ' VAL . 18.3 mmm -113.71 143.4 44.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.48 -34.41 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.6 m -45.64 -38.32 6.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.022 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -163.39 90.15 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -75.49 -2.34 28.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.3 m -93.48 -12.82 28.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -140.96 133.06 14.04 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 65.6 Cg_endo -66.13 152.89 80.08 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.119 3.084 . . . . 0.0 120.119 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -105.88 -34.13 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -156.42 143.36 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.677 ' NH2' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -134.6 152.29 51.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.313 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 178.11 -170.79 43.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 81.3 m -105.47 152.73 22.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.865 HD13 ' HD3' ' A' ' 43' ' ' PRO . 9.7 tt -134.26 158.33 42.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.355 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -86.3 -30.17 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -137.62 162.76 32.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.7 t -79.95 114.52 47.03 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 108.344 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.865 ' HD3' HD13 ' A' ' 39' ' ' ILE . 60.7 Cg_endo -65.32 -179.37 1.12 Allowed 'Trans proline' 0 CA--C 1.568 2.216 0 N-CA-C 120.13 3.088 . . . . 0.0 120.13 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -97.46 146.0 25.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -87.71 151.45 22.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.241 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -122.24 174.3 7.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.386 1.054 . . . . 0.0 110.018 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.39 -19.34 29.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.31 -50.18 3.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.751 HG22 ' SD ' ' A' ' 26' ' ' MET . 40.4 t -99.82 144.0 12.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.27 119.11 31.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' CZ ' ' CG1' ' A' ' 49' ' ' VAL . 28.3 m-85 -112.29 117.59 32.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.948 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 t -117.03 130.35 72.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.4 p -107.52 151.72 25.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 108.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.6 155.29 42.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.247 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -119.02 34.1 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.447 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -113.7 166.52 11.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.39 140.31 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 40.04 32.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 6.2 p -53.6 -48.3 69.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.453 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -119.18 145.01 46.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.2 m -123.83 144.86 49.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 108.271 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.53 162.91 28.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -94.56 -168.43 1.83 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.36 -42.5 98.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.7 mt -98.78 122.55 52.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -55.91 71.12 0.03 OUTLIER 'Trans proline' 0 CA--C 1.567 2.154 0 N-CA-C 120.095 3.075 . . . . 0.0 120.095 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.6 OUTLIER -175.7 -34.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -96.63 128.07 43.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -127.63 166.69 17.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 13' ' ' THR . 3.5 ttpt -152.58 144.77 23.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.411 1.069 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 7.2 m -67.27 147.12 53.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 9.7 m -77.22 113.43 30.93 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 13' ' ' THR . 65.3 Cg_exo -47.05 -177.36 0.0 OUTLIER 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.094 3.074 . . . . 0.0 120.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.15 117.81 7.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.69 -28.68 14.79 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.7 mtmt -94.78 106.16 18.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 0.804 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -127.16 10.55 6.89 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 40' ' ' ASP . 1.1 mt -120.52 152.69 37.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 22.7 m -104.92 145.7 30.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.399 1.062 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.493 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.8 OUTLIER -145.46 163.82 33.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 22.1 pttt -148.15 129.43 14.7 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.501 1.125 . . . . 0.0 109.195 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.508 ' CG ' ' CE1' ' A' ' 51' ' ' TYR . 5.4 mtm -103.39 123.24 46.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 7.1 m-85 -123.56 146.43 48.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.404 ' CE ' HG22 ' A' ' 49' ' ' VAL . 1.0 OUTLIER -107.67 141.46 39.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 111.048 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.3 -37.97 8.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -41.08 -31.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -175.53 95.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 -3.0 30.03 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -92.57 -6.15 50.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.373 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -138.74 120.16 10.15 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 68.3 Cg_endo -66.36 153.44 78.02 Favored 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -107.17 -32.14 2.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.05 146.35 23.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -149.73 132.23 15.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -178.0 -160.35 24.29 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 76.2 m -110.11 158.73 18.0 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.794 HD13 ' HG3' ' A' ' 43' ' ' PRO . 9.5 tt -147.52 159.88 8.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -65.5 -63.38 1.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.485 1.115 . . . . 0.0 109.216 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -112.08 166.57 11.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 39.1 t -70.61 120.92 81.83 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.261 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.794 ' HG3' HD13 ' A' ' 39' ' ' ILE . 32.1 Cg_exo -54.78 -177.03 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.159 3.099 . . . . 0.0 120.159 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -107.81 122.76 47.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -75.7 151.46 37.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -134.04 175.65 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.6 tp -79.81 -44.47 20.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -39.89 54.81 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG22 ' CE ' ' A' ' 26' ' ' MET . 47.6 t -118.95 146.68 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.72 118.99 29.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.571 1.17 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.508 ' CE1' ' CG ' ' A' ' 24' ' ' MET . 26.3 m-85 -103.45 128.44 50.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 11.4 t -126.76 125.28 66.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 16.9 p -108.65 155.58 20.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 108.273 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.24 156.46 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 108.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -112.51 31.57 6.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.48 169.78 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 110.333 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 59' ' ' CYS . 2.9 m-20 -88.21 147.22 24.96 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.497 1.123 . . . . 0.0 109.229 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 42.98 25.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.423 ' N ' ' C ' ' A' ' 57' ' ' ASP . 31.9 p -64.46 -49.29 72.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 108.244 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 2.2 p-10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.427 HD21 ' O ' ' A' ' 56' ' ' THR . 1.2 tt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -95.68 134.18 38.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.348 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.403 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 7.1 m -130.44 150.02 51.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.304 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.4 t-20 -70.98 164.99 24.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 2.0 mmmm -96.14 -168.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 1.1 tt -63.13 -44.13 96.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.8 mt -96.61 124.25 51.29 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.413 1.071 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.0 Cg_endo -55.72 71.63 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.82 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' C ' ' HG3' ' A' ' 5' ' ' LYS . . . -95.31 149.61 21.16 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -143.12 165.78 26.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -152.22 137.95 17.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.5 m -73.38 148.41 43.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.433 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 83.9 m -76.38 113.38 28.17 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 108.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -46.79 -177.74 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.76 119.37 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.16 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.42 -28.67 14.32 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -75.62 104.43 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -119.38 9.28 11.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 40' ' ' ASP . 8.6 mt -138.97 159.93 40.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 2.8 m -125.93 149.25 48.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.576 1.173 . . . . 0.0 108.348 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.541 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -136.58 161.54 35.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 14.2 ptpt -146.57 129.0 15.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.459 ' O ' HG12 ' A' ' 34' ' ' VAL . 9.7 mtm -102.54 126.51 49.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.598 ' CE1' ' HB3' ' A' ' 33' ' ' PRO . 6.3 m-85 -120.64 146.6 46.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 36.6 mtp -105.7 137.63 43.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -43.53 -33.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.593 1.183 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.0 t -41.88 -41.13 2.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -168.19 93.29 0.36 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -4.13 29.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 m -81.94 -14.49 56.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.401 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -140.14 133.67 15.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.598 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 71.9 Cg_endo -67.61 159.13 54.01 Favored 'Trans proline' 0 CA--C 1.567 2.143 0 N-CA-C 120.155 3.098 . . . . 0.0 120.155 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 24' ' ' MET . 0.3 OUTLIER -113.23 -31.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -155.3 144.79 21.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -148.07 144.51 27.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 1.073 . . . . 0.0 110.299 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -172.97 -176.43 41.52 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 73.4 m -105.24 143.1 33.89 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.567 HG21 ' HD3' ' A' ' 43' ' ' PRO . 7.7 tt -147.16 158.43 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 p-10 -85.11 -50.83 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.401 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -97.75 132.9 42.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 41.2 t -68.29 112.14 10.05 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 108.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.567 ' HD3' HG21 ' A' ' 39' ' ' ILE . 53.0 Cg_exo -47.59 -178.97 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.162 0 N-CA-C 120.169 3.104 . . . . 0.0 120.169 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -100.34 123.69 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 49.9 p-10 -74.05 151.77 40.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.88 175.02 8.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -78.92 -50.72 10.73 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.44 -45.59 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.03 119.16 53.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.404 1.065 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -93.74 149.44 21.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 8.0 m-85 -132.28 114.86 14.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.954 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.425 HG23 ' CD ' ' A' ' 50' ' ' LYS . 38.5 t -113.7 132.64 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 30.8 m -110.92 153.68 25.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -156.43 155.13 31.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 108.295 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -129.32 44.07 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -126.22 166.04 17.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.449 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.6 OUTLIER -66.87 135.35 53.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 44.64 25.69 0.15 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.416 ' N ' ' C ' ' A' ' 57' ' ' ASP . 13.6 p -48.08 -47.42 34.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 108.297 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.3 p-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.499 HD23 ' N ' ' A' ' 2' ' ' LYS . 1.5 tt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.0 OUTLIER -123.98 144.73 49.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 5.5 m -130.64 149.84 52.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -70.81 161.63 30.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.407 1.067 . . . . 0.0 109.33 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 8.2 mmmt -95.22 -167.96 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.422 1.076 . . . . 0.0 109.332 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.71 -41.32 86.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' HD2' ' A' ' 8' ' ' PRO . 9.9 mt -99.18 121.35 55.72 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.4 Cg_endo -56.26 70.1 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.44 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -95.62 122.26 38.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' O ' ' HE3' ' A' ' 12' ' ' LYS . 49.8 p90 -126.33 154.17 43.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -139.87 161.16 38.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 m -80.89 148.45 29.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 24.2 m -76.39 113.03 24.9 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.577 1.173 . . . . 0.0 108.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 13' ' ' THR . 64.1 Cg_exo -47.04 -177.38 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.21 0 N-CA-C 120.069 3.065 . . . . 0.0 120.069 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.75 16.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.09 -25.3 22.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 9.5 mttm -98.59 102.83 14.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 0.803 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -124.34 12.83 8.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.368 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.09 157.9 33.5 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' HD22 ' A' ' 1' ' ' LEU . 92.6 m -110.56 153.95 24.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 108.298 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.6 OUTLIER -146.1 162.98 36.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.529 ' HD3' ' CE2' ' A' ' 25' ' ' PHE . 3.8 ptpt -147.87 128.99 14.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.542 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.5 mtt -102.92 114.65 29.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 3.3 m-85 -108.99 146.15 34.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.478 ' HG3' HG21 ' A' ' 34' ' ' VAL . 3.6 mmm -111.16 140.85 45.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.13 -37.46 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.0 t -43.38 -36.32 1.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -163.39 89.95 0.63 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.499 1.124 . . . . 0.0 109.211 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -73.56 -3.66 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.4 m -98.2 -6.04 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -140.49 126.48 11.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.572 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 69.8 Cg_endo -66.45 155.08 71.86 Favored 'Trans proline' 0 CA--C 1.567 2.149 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -111.85 -32.36 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.93 152.07 31.06 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 0.9 OUTLIER -157.46 148.29 21.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 110.223 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.41 -164.15 33.16 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.569 1.168 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.173 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 85.5 m -105.13 151.07 24.47 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 41' ' ' ALA . 6.4 tt -146.91 158.74 9.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.427 1.079 . . . . 0.0 109.243 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.407 ' N ' ' HG2' ' A' ' 18' ' ' LYS . 1.7 p30 -87.51 -36.95 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.459 ' O ' ' CG2' ' A' ' 39' ' ' ILE . . . -121.86 153.45 38.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.5 t -86.19 112.69 47.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.563 1.164 . . . . 0.0 108.338 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 41' ' ' ALA . 50.2 Cg_exo -49.14 -178.44 0.01 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.125 3.087 . . . . 0.0 120.125 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tttp -96.13 109.19 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.474 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 8.4 p30 -55.51 151.12 10.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.4 m -134.68 174.6 10.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.981 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.6 tt -88.23 -41.48 12.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.45 -25.72 41.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG13 ' O ' ' A' ' 25' ' ' PHE . 61.0 t -132.99 127.74 55.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.227 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' CD ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -99.04 130.43 45.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 45' ' ' ASN . 5.9 m-85 -115.68 122.29 45.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 27.6 t -125.4 134.95 65.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 35.2 m -115.87 148.11 40.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 108.274 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -144.39 156.58 44.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 108.341 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' C ' HD11 ' A' ' 1' ' ' LEU . 20.1 p-10 -123.4 43.65 2.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 0.8 OUTLIER -127.61 165.37 20.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -72.51 142.21 48.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.7 mtp180 38.94 30.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 57' ' ' ASP . 13.5 p -56.18 -49.27 74.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 108.357 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.26 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.491 HD21 ' O ' ' A' ' 56' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -91.14 129.56 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 1.7 m -130.58 150.72 51.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 108.264 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -70.57 166.33 20.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 1.6 mmmm -97.45 -169.13 1.79 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CA ' ' HD2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -61.68 -44.16 97.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.829 HG22 HD22 ' A' ' 9' ' ' LEU . 8.5 mt -96.02 123.88 53.87 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 37.1 Cg_endo -56.11 70.85 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.215 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 7' ' ' ILE . 1.3 pt? -175.74 -34.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.633 ' H ' HD23 ' A' ' 9' ' ' LEU . . . -94.36 146.3 24.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -142.75 164.28 30.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.579 1.174 . . . . 0.0 110.964 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -152.45 145.15 24.27 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' N ' ' HG2' ' A' ' 12' ' ' LYS . 18.4 m -76.14 147.62 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 110.401 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 90.0 m -76.48 113.27 27.35 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 13' ' ' THR . 61.8 Cg_exo -47.14 -178.12 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.204 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.35 123.57 20.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.8 -28.75 14.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 110.943 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -83.87 104.36 13.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -115.04 9.53 16.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.2 mt -141.33 159.01 43.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 11.7 m -116.81 156.56 27.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 108.293 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.55 ' C ' ' CD2' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -141.78 160.6 39.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -144.94 134.11 22.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.581 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.4 mtp -102.41 111.89 24.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.624 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 6.3 m-30 -103.52 146.27 28.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 110.973 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.581 ' HG3' HG21 ' A' ' 34' ' ' VAL . 25.5 mmm -108.82 138.81 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.87 -40.19 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -45.16 -36.92 4.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.005 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -171.4 91.21 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.225 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.624 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 6.6 mtmm -67.55 -37.86 83.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -58.26 -15.48 10.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 110.362 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.69 121.0 25.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -65.55 151.87 83.5 Favored 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' MET . 0.4 OUTLIER -114.79 -33.97 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 mmtt -145.98 148.05 32.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.231 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HD2' ' CA ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -147.74 142.99 27.25 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.59 -175.64 43.17 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.128 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 76.1 m -104.73 150.47 24.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.86 HD13 ' HD3' ' A' ' 43' ' ' PRO . 6.0 tt -142.12 158.4 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -107.19 0.3 23.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.54 120.05 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.3 t -60.44 112.01 4.9 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 108.355 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.86 ' HD3' HD13 ' A' ' 39' ' ' ILE . 61.3 Cg_endo -65.91 -178.74 1.1 Allowed 'Trans proline' 0 CA--C 1.568 2.211 0 N-CA-C 120.078 3.068 . . . . 0.0 120.078 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 139.01 32.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 44.2 p-10 -85.32 151.8 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.381 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.0 m -124.1 175.74 6.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.015 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.784 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -93.48 -18.92 21.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.04 -32.75 9.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 25' ' ' PHE . 56.8 t -125.48 117.29 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.211 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -93.53 123.14 36.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' N ' ' CD2' ' A' ' 51' ' ' TYR . 15.1 m-85 -106.97 116.96 32.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.1 t -115.3 134.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 14.6 m -109.77 158.06 18.52 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.279 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -159.54 154.57 24.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.607 1.192 . . . . 0.0 108.284 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -128.63 37.06 4.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 109.383 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.491 ' O ' HD21 ' A' ' 1' ' ' LEU . 1.2 p -117.79 170.15 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' C ' ' N ' ' A' ' 59' ' ' CYS . 0.4 OUTLIER -73.29 138.09 45.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 43.69 27.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.299 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.449 ' SG ' ' N ' ' A' ' 60' ' ' ASN . 12.1 p -48.45 -49.69 34.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.449 ' N ' ' SG ' ' A' ' 59' ' ' CYS . 1.2 p-10 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.485 HD23 ' SG ' ' A' ' 21' ' ' CYS . 2.6 tp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.13 146.34 47.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 1.9 m -127.94 148.52 50.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 108.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.6 t-20 -71.65 167.52 19.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' HG3' ' C ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -92.63 -168.77 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.469 ' CA ' ' HD3' ' A' ' 36' ' ' ARG . 1.3 tt -67.08 -41.99 85.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.648 HG22 HD23 ' A' ' 9' ' ' LEU . 14.2 mt -95.69 109.87 48.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' OD1' ' A' ' 4' ' ' ASN . 75.6 Cg_exo -44.22 73.34 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.051 3.058 . . . . 0.0 120.051 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.46 -36.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' N ' ' HG ' ' A' ' 9' ' ' LEU . . . -94.04 157.16 16.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -145.4 166.3 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -151.8 140.66 20.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.3 m -67.83 146.97 53.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 68.5 m -77.01 113.73 33.1 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -46.69 -177.75 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.186 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.72 117.25 5.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.171 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.68 -29.15 13.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -76.12 105.05 6.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.31 6.61 10.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 24.1 mt -137.6 153.51 49.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' SG ' HD23 ' A' ' 1' ' ' LEU . 73.9 m -109.5 142.46 40.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.385 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.523 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -134.88 162.54 32.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 110.935 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -145.89 134.93 22.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -102.65 118.71 37.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.587 1.179 . . . . 0.0 110.971 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.645 ' CD2' ' O ' ' A' ' 30' ' ' LYS . 7.0 m-30 -108.34 147.21 31.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.506 ' HG3' ' CG2' ' A' ' 34' ' ' VAL . 2.3 mmt -107.17 142.4 36.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.42 -35.1 19.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 t -52.49 -34.76 50.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 110.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -170.37 90.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.645 ' O ' ' CD2' ' A' ' 25' ' ' PHE . 2.4 mtmp? -68.57 -38.21 80.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.3 m -57.91 -15.46 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -123.08 125.58 26.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -66.82 150.61 83.25 Favored 'Trans proline' 0 CA--C 1.569 2.233 0 N-CA-C 120.102 3.078 . . . . 0.0 120.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 1.3 p -114.84 -33.78 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -147.66 146.66 29.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' H ' ' NE ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -145.87 138.58 25.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.38 -175.44 42.81 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 1.283 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 59.3 m -108.21 144.39 35.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 41' ' ' ALA . 9.1 tt -139.18 160.04 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -84.32 -46.47 11.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 39' ' ' ILE . . . -109.11 156.34 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.3 t -76.58 122.54 86.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.105 . . . . 0.0 108.278 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.83 -176.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.35 111.11 23.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 42.8 p-10 -60.82 150.69 31.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.376 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.8 m -137.02 174.47 10.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 ' H ' HD23 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -83.27 -37.17 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.11 -49.91 6.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.628 HG11 ' SD ' ' A' ' 24' ' ' MET . 5.6 t -103.41 119.9 52.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -99.16 119.25 37.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -101.85 131.62 48.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -131.37 121.07 47.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.6 p -107.99 154.08 22.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.412 1.07 . . . . 0.0 108.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -152.11 157.67 41.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 108.271 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 45.7 p30 -120.09 35.0 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.36 166.4 12.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.82 138.56 39.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.083 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 41.46 39.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.354 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 19.2 p -64.76 -49.23 71.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 19' ' ' ASN . 1.2 tp . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.6 144.52 51.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.8 m -127.08 149.22 50.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.327 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 t-20 -84.25 162.7 20.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.509 ' CG ' ' O ' ' A' ' 10' ' ' ALA . 15.2 mmtt -92.16 -168.29 1.96 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.32 -40.54 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 9' ' ' LEU . 19.1 mt -99.32 121.13 56.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 7' ' ' ILE . 37.3 Cg_endo -56.03 71.13 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.214 0 N-CA-C 120.083 3.071 . . . . 0.0 120.083 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD23 HG22 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -175.52 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.509 ' O ' ' CG ' ' A' ' 5' ' ' LYS . . . -94.9 116.03 28.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -127.59 162.28 26.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 149.74 29.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.4 m -67.69 148.52 51.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 18' ' ' LYS . 26.5 m -76.52 112.9 24.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 13' ' ' THR . 56.4 Cg_exo -47.53 -177.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.181 3.108 . . . . 0.0 120.181 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.82 120.14 10.72 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.219 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 101.3 -28.76 14.53 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.519 1.137 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 6.8 mttp -102.4 105.85 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' O ' HD22 ' A' ' 1' ' ' LEU . 3.0 p30 -125.79 18.87 7.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.54 156.55 44.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.322 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 24.9 m -105.31 151.64 23.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 108.307 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.4 OUTLIER -147.82 160.86 42.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.79 134.25 18.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 15.0 mtt -102.58 123.65 46.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CE1' ' HD2' ' A' ' 23' ' ' LYS . 6.4 m-85 -118.55 146.38 44.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.407 ' HG3' HG21 ' A' ' 34' ' ' VAL . 1.4 mtt -113.36 141.45 47.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.478 ' CG1' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -45.31 -37.09 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.352 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.2 p -42.06 -38.95 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 110.045 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -164.34 91.61 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -3.64 27.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 46.0 m -95.31 -6.81 40.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.4 t -140.38 126.76 11.91 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 63.7 Cg_endo -65.47 157.73 56.62 Favored 'Trans proline' 0 CA--C 1.569 2.244 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.407 HG21 ' HG3' ' A' ' 26' ' ' MET . 0.3 OUTLIER -112.48 -31.75 2.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm -150.78 150.25 30.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.413 ' NH2' ' HG2' ' A' ' 33' ' ' PRO . 4.2 mtm180 -146.82 144.55 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.94 -169.18 41.77 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.538 1.149 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 93.8 m -104.71 155.37 18.94 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.533 HD13 ' HG3' ' A' ' 43' ' ' PRO . 8.9 tt -146.67 158.92 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -86.97 -50.14 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 43' ' ' PRO . . . -105.75 157.4 17.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.1 t -85.03 113.06 47.81 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.533 ' HG3' HD13 ' A' ' 39' ' ' ILE . 51.6 Cg_exo -48.37 -176.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 121.37 40.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -58.27 151.48 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.41 1.069 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 m -127.41 174.26 9.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.939 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 tp -70.15 -56.05 7.84 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 HD23 ' CG1' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -85.85 -42.74 13.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.526 HG12 ' CE2' ' A' ' 51' ' ' TYR . 26.3 t -93.62 151.83 3.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -143.1 119.45 10.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CE2' HG12 ' A' ' 49' ' ' VAL . 20.9 m-85 -108.46 133.41 52.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 85.6 t -132.17 127.95 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 15.6 p -109.0 155.87 20.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 108.314 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.2 p -139.68 159.26 42.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 108.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -115.8 39.36 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.354 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.92 170.85 13.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -88.87 147.87 24.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.7 mtp180 36.99 50.04 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.6 p -90.17 -38.68 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.235 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 1.1 p-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 stop_ save_