data_2kfq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kfq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 21' ' ' HIS . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' ALA . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.612 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.541 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.413 ' CG2' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.539 HG22 ' CE1' ' A' ' 26' ' ' PHE . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.507 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.587 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.623 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.625 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.58 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.594 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.454 ' CE ' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 25' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.524 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 27' ' ' ILE . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.584 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.508 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.586 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.586 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.618 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.533 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.634 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HG3' ' CE ' ' A' ' 13' ' ' MET . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.635 ' CE1' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.635 HG22 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.631 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.631 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.609 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 11' ' ' ARG . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.564 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.43 ' HE1' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' CD ' ' HE1' ' A' ' 13' ' ' MET . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.555 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.522 ' CG2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 25' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.596 ' CE1' ' SG ' ' A' ' 5' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.13 61.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 1' ' ' TYR . 45.5 p90 -166.11 29.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 3' ' ' PHE . . . 169.58 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.596 ' SG ' ' CE1' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -48.93 -58.78 7.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.305 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.526 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.2 Cg_endo -75.01 -89.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 83.92 -69.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.8 m -145.15 88.52 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -75.02 -163.45 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.576 ' CD2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.576 HG23 ' CD2' ' A' ' 21' ' ' HIS . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.582 HG22 ' CD1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.536 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.582 ' CD1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.572 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 24' ' ' THR . . . -79.08 -79.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -54.69 19.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 3' ' ' PHE . 5.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.527 0.203 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 6' ' ' PRO . . . -136.11 72.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 1' ' ' TYR . 7.6 p90 -110.88 -4.48 15.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 3' ' ' PHE . . . 169.41 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -48.73 -58.79 7.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.349 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -74.99 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.54 168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.53 93.71 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.281 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.45 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo -74.99 -163.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.612 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.541 HG21 ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.583 HG22 ' CD1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.541 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.583 ' CD1' HG22 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.579 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . -100.76 70.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.7 mm? -50.54 162.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 3' ' ' PHE . 15.5 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.53 34.29 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 1' ' ' TYR . 2.4 t80 -49.89 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.44 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -156.48 25.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.91 -52.5 63.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.0 Cg_endo -75.05 -89.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.01 175.91 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.7 m 72.32 89.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.0 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 20' ' ' LYS . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.413 ' CG2' ' CD2' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.539 HG22 ' CE1' ' A' ' 26' ' ' PHE . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.561 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 -73.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt? -161.34 -174.46 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.41 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.547 0.213 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.14 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 33.3 p90 -166.81 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -175.82 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -74.16 -53.16 3.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.05 -13.79 21.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 84.72 -51.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 153.32 39.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.587 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.623 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.625 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.476 ' CB ' HG21 ' A' ' 24' ' ' THR . . . -89.63 42.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 117.69 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.943 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.87 -41.88 8.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.4 -43.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.0 47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -65.99 -53.16 35.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.4 Cg_endo -74.99 -0.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 83.69 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 133.03 47.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.58 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.594 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -72.3 -82.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.63 -56.8 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.515 0.198 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.1 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 10.2 p90 -138.34 -50.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -178.43 47.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -73.8 -53.17 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.0 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.93 -160.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.5 m 59.83 89.56 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.06 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.452 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.454 ' CE ' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' HD3' ' CE ' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.533 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' CG2' ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 25' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.524 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' CG1' ' O ' ' A' ' 27' ' ' ILE . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.584 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.508 ' CB ' ' CG2' ' A' ' 24' ' ' THR . . . -64.22 108.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.11 178.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 1' ' ' TYR . 2.9 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.499 0.19 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 -56.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 24.6 p90 -137.78 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -176.21 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.495 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -64.02 -53.15 50.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.2 Cg_endo -75.01 -83.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 166.11 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -40.92 101.15 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.99 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.586 ' HA ' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.586 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.618 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.533 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.634 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.44 108.76 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.55 -79.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 3' ' ' PHE . 34.8 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.465 0.174 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.17 34.27 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 1' ' ' TYR . 2.3 t80 -50.2 -66.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.451 ' N ' ' CD2' ' A' ' 3' ' ' PHE . . . -156.7 25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.67 -52.37 65.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.09 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.87 -170.32 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 165.2 38.41 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.93 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.476 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HG3' ' CE ' ' A' ' 13' ' ' MET . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.571 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.635 ' CE1' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.635 HG22 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.631 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.631 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.609 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.489 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.75 144.43 25.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.6 mt -66.97 -81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 3' ' ' PHE . 11.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.49 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.594 ' O ' ' CE2' ' A' ' 1' ' ' TYR . 2.4 p90 -152.2 -141.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -88.71 93.58 9.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -178.75 -59.81 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.4 Cg_endo -74.98 -168.95 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 178.24 144.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m 61.42 94.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 108.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.817 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' CD ' ' HA ' ' A' ' 11' ' ' ARG . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.564 ' C ' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 HG21 ' CE1' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.63 ' OG1' ' CE1' ' A' ' 26' ' ' PHE . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.63 ' CE1' ' OG1' ' A' ' 24' ' ' THR . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.593 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.45 -157.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -141.21 175.94 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.414 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.609 ' CE1' ' O ' ' A' ' 4' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.454 ' HA ' ' CG ' ' A' ' 6' ' ' PRO . . . -114.54 -12.2 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.574 ' CZ ' ' CE1' ' A' ' 1' ' ' TYR . 53.8 p90 -82.26 5.43 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' A' ' 1' ' ' TYR . . . 170.18 83.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.518 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 179.04 -58.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.518 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.2 Cg_endo -75.04 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' PRO . . . 164.52 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.49 94.33 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.43 ' HE1' ' CD ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' CD ' ' HE1' ' A' ' 13' ' ' MET . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.555 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.522 ' CG2' ' C ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.54 ' OG1' ' N ' ' A' ' 25' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' N ' ' OG1' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.569 ' HB ' ' CE2' ' A' ' 26' ' ' PHE . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG2' HG11 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 24' ' ' THR . . . -73.9 -55.52 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -44.43 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.768 ' NE2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 22' ' ' ILE . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.681 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.003 HG12 HG23 ' A' ' 29' ' ' VAL . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.003 HG23 HG12 ' A' ' 28' ' ' VAL . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.495 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.951 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' ALA . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.621 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.758 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.863 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.918 HG12 HG23 ' A' ' 29' ' ' VAL . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 HG12 ' A' ' 28' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.621 ' HB1' ' HA ' ' A' ' 21' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.943 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 24' ' ' THR . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.031 HG12 HG23 ' A' ' 29' ' ' VAL . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.031 HG23 HG12 ' A' ' 28' ' ' VAL . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.677 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.878 HG23 ' HB2' ' A' ' 30' ' ' ALA . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.878 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.922 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.739 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.739 HG22 ' NE2' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.877 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.553 ' HE2' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.932 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 1.032 HG21 ' HB2' ' A' ' 30' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 1.032 ' HB2' HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 18' ' ' LEU . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.895 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.924 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.631 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.631 HG23 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.778 HG23 ' HB2' ' A' ' 30' ' ' ALA . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.712 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.712 HG22 ' NE2' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.626 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 28' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.716 HG21 ' HB2' ' A' ' 30' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.968 HG12 HG23 ' A' ' 29' ' ' VAL . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.968 HG23 HG12 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 4' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.13 61.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 45.5 p90 -166.11 29.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 3' ' ' PHE . . . 169.58 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -48.93 -58.78 7.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.305 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.683 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.01 -89.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 83.92 -69.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.8 m -145.15 88.52 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -75.02 -163.45 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.915 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.768 ' NE2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.774 HD12 ' C ' ' A' ' 22' ' ' ILE . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.681 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.003 HG12 HG23 ' A' ' 29' ' ' VAL . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.003 HG23 HG12 ' A' ' 28' ' ' VAL . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . -79.08 -79.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -54.69 19.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 3' ' ' PHE . 5.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.527 0.203 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 6' ' ' PRO . . . -136.11 72.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 1' ' ' TYR . 7.6 p90 -110.88 -4.48 15.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 3' ' ' PHE . . . 169.41 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -48.73 -58.79 7.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.349 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.99 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.54 168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.53 93.71 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.281 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo -74.99 -163.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.495 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.951 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.621 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.758 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.863 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG12 HG23 ' A' ' 29' ' ' VAL . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 HG12 ' A' ' 28' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.621 ' HB1' ' HA ' ' A' ' 21' ' ' HIS . . . -100.76 70.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.7 mm? -50.54 162.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 3' ' ' PHE . 15.5 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.53 34.29 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 4' ' ' ALA . 2.4 t80 -49.89 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . . . -156.48 25.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.91 -52.5 63.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.0 Cg_endo -75.05 -89.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.01 175.91 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.7 m 72.32 89.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.0 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.943 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 24' ' ' THR . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' THR . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 HG23 ' O ' ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.031 HG12 HG23 ' A' ' 29' ' ' VAL . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.031 HG23 HG12 ' A' ' 28' ' ' VAL . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 -73.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt? -161.34 -174.46 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.547 0.213 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.14 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 33.3 p90 -166.81 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -175.82 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -74.16 -53.16 3.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.695 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.05 -13.79 21.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 84.72 -51.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 153.32 39.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.973 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' CE1' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.677 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.878 HG23 ' HB2' ' A' ' 30' ' ' ALA . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.878 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -89.63 42.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 117.69 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.943 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.87 -41.88 8.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.4 -43.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.0 47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -65.99 -53.16 35.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.4 Cg_endo -74.99 -0.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 83.69 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 133.03 47.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.922 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.739 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.739 HG22 ' NE2' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.877 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -72.3 -82.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.4 OUTLIER -50.63 -56.8 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.515 0.198 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.1 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 10.2 p90 -138.34 -50.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -178.43 47.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -73.8 -53.17 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.0 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.93 -160.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.5 m 59.83 89.56 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.06 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.553 ' HE2' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.932 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 1.032 HG21 ' HB2' ' A' ' 30' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 1.032 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -64.22 108.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.11 178.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 1' ' ' TYR . 2.9 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.499 0.19 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 -56.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 24.6 p90 -137.78 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -176.21 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.495 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -64.02 -53.15 50.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.01 -83.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 166.11 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -40.92 101.15 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.99 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 18' ' ' LEU . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.895 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.924 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -84.44 108.76 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD23 ' HE2' ' A' ' 20' ' ' LYS . 3.1 mm? -57.55 -79.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 3' ' ' PHE . 34.8 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.465 0.174 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.17 34.27 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.694 ' CE2' ' HB3' ' A' ' 4' ' ' ALA . 2.3 t80 -50.2 -66.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . . . -156.7 25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.67 -52.37 65.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.09 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.87 -170.32 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 165.2 38.41 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.93 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.921 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.631 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.631 HG23 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.778 HG23 ' HB2' ' A' ' 30' ' ' ALA . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -93.75 144.43 25.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.6 mt -66.97 -81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 3' ' ' PHE . 11.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.49 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.594 ' O ' ' CE2' ' A' ' 1' ' ' TYR . 2.4 p90 -152.2 -141.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -88.71 93.58 9.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -178.75 -59.81 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.4 Cg_endo -74.98 -168.95 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 178.24 144.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m 61.42 94.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 108.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.817 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.907 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.712 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.712 HG22 ' NE2' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.626 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 28' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -91.45 -157.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -141.21 175.94 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.696 ' CE1' ' HB3' ' A' ' 4' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' CG ' ' A' ' 6' ' ' PRO . . . -114.54 -12.2 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 53.8 p90 -82.26 5.43 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.696 ' HB3' ' CE1' ' A' ' 1' ' ' TYR . . . 170.18 83.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 179.04 -58.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.04 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 164.52 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.49 94.33 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.933 ' O ' HD22 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.716 HG21 ' HB2' ' A' ' 30' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.968 HG12 HG23 ' A' ' 29' ' ' VAL . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.968 HG23 HG12 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -73.9 -55.52 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -44.43 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.915 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.768 ' NE2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.774 ' C ' HD12 ' A' ' 22' ' ' ILE . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.681 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.003 HG12 HG23 ' A' ' 29' ' ' VAL . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.003 HG23 HG12 ' A' ' 28' ' ' VAL . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.906 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.495 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' ALA . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.621 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.758 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.863 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.918 HG12 HG23 ' A' ' 29' ' ' VAL . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 HG12 ' A' ' 28' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.621 ' HB1' ' HA ' ' A' ' 21' ' ' HIS . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.943 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 24' ' ' THR . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.031 HG12 HG23 ' A' ' 29' ' ' VAL . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.031 HG23 HG12 ' A' ' 28' ' ' VAL . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.587 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.677 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.878 HG23 ' HB2' ' A' ' 30' ' ' ALA . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.878 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.857 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.739 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.739 HG22 ' NE2' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.877 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.553 ' HE2' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.932 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 1.032 HG21 ' HB2' ' A' ' 30' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 1.032 ' HB2' HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 18' ' ' LEU . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.924 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.921 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.631 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.631 HG23 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.778 HG23 ' HB2' ' A' ' 30' ' ' ALA . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.846 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.907 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.712 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.712 HG22 ' NE2' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.626 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 28' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 111.05 -0.404 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.555 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.716 HG21 ' HB2' ' A' ' 30' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.968 HG12 HG23 ' A' ' 29' ' ' VAL . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.968 HG23 HG12 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 24' ' ' THR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.591 ' HE2' ' HB3' ' A' ' 4' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 111.007 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.13 61.75 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.596 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 45.5 p90 -166.11 29.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.596 ' HB2' ' O ' ' A' ' 3' ' ' PHE . . . 169.58 -30.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.533 ' SG ' ' CE1' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -48.93 -58.78 7.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 108.305 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.683 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.01 -89.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.457 1.767 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.683 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 83.92 -69.2 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.8 m -145.15 88.52 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -75.02 -163.45 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -101.08 3.49 41.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -106.19 -36.56 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.449 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t80 -69.53 -42.73 74.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.39 -22.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -71.61 -49.41 40.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.55 9.71 12.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -111.75 -20.08 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.24 27.99 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.915 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -175.25 34.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m -150.95 21.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -134.42 21.29 3.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.768 ' NE2' HG23 ' A' ' 22' ' ' ILE . 41.2 p-80 -167.37 -43.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.617 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.774 ' C ' HD12 ' A' ' 22' ' ' ILE . 1.5 pp -72.99 -19.23 18.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.689 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -81.72 4.12 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.681 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.1 t -164.55 -127.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.7 64.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.681 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.52 -158.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.746 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -134.71 88.68 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.003 HG12 HG23 ' A' ' 29' ' ' VAL . 8.5 t -161.7 -51.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.003 HG23 HG12 ' A' ' 28' ' ' VAL . 18.7 t -129.15 5.89 2.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.635 ' HB2' ' CG2' ' A' ' 24' ' ' THR . . . -79.08 -79.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -54.69 19.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.627 ' CZ ' ' CD1' ' A' ' 3' ' ' PHE . 5.0 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.527 0.203 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.534 ' HB1' ' HG2' ' A' ' 6' ' ' PRO . . . -136.11 72.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.627 ' CD1' ' CZ ' ' A' ' 1' ' ' TYR . 7.6 p90 -110.88 -4.48 15.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 3' ' ' PHE . . . 169.41 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER -48.73 -58.79 7.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 108.349 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 18.3 Cg_endo -74.99 -75.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.999 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.54 168.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.3 m 67.53 93.71 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 108.281 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.5 Cg_endo -74.99 -163.21 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.27 3.04 40.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -105.77 -36.43 7.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 6.1 t80 -69.51 -42.93 74.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.495 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.7 ptm -48.49 -22.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -82.64 -49.74 9.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -14.49 20.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.969 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.03 -20.26 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.87 22.81 2.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -156.23 22.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.488 ' O ' ' CG ' ' A' ' 23' ' ' LYS . 0.4 OUTLIER -133.9 -69.18 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.9 mmtp -72.99 54.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.621 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -172.78 -39.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.758 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -105.98 -8.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 19' ' ' SER . 2.8 mmpt? -82.17 6.99 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.695 HG21 ' CE1' ' A' ' 26' ' ' PHE . 3.9 t -157.69 -129.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.6 66.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER 179.68 -158.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.863 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -128.75 91.54 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG12 HG23 ' A' ' 29' ' ' VAL . 2.4 t -166.48 -43.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.918 HG23 HG12 ' A' ' 28' ' ' VAL . 76.7 t -135.1 10.53 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.621 ' HB1' ' HA ' ' A' ' 21' ' ' HIS . . . -100.76 70.85 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' LYS . 2.7 mm? -50.54 162.49 0.24 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 3' ' ' PHE . 15.5 t80 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.53 34.29 2.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.623 ' CE2' ' HB3' ' A' ' 4' ' ' ALA . 2.4 t80 -49.89 -66.47 0.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . . . -156.48 25.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.521 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.91 -52.5 63.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 108.309 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.0 Cg_endo -75.05 -89.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.53 1.805 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.01 175.91 1.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.7 m 72.32 89.95 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.0 -165.75 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.54 1.81 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -58.42 -42.97 88.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -49.89 -34.25 19.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 16' ' ' ASP . 4.0 m-85 -111.64 170.15 8.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.472 ' SD ' ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER 169.45 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 111.019 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' CG ' ' SD ' ' A' ' 13' ' ' MET . 13.0 mmt180 -138.04 -53.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 21.6 m -50.3 -22.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -93.47 -28.57 16.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 14' ' ' ARG . . . -84.22 49.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.943 HD13 ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -178.91 -37.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.943 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.4 OUTLIER -60.15 -15.05 20.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 24' ' ' THR . 2.0 mmtt -75.43 -21.14 58.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -94.51 -26.33 16.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.648 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 HG23 HD22 ' A' ' 18' ' ' LEU . 1.0 OUTLIER -81.03 -31.57 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 -1.76 34.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' ' HB2' ' A' ' 25' ' ' ALA . 5.1 t -173.18 -130.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.98 62.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.68 -157.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.81 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -132.73 90.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.031 HG12 HG23 ' A' ' 29' ' ' VAL . 3.0 t -163.99 -47.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.031 HG23 HG12 ' A' ' 28' ' ' VAL . 26.3 t -130.96 6.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.52 -73.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 32' ' ' GLY . 1.2 pt? -161.34 -174.46 4.31 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.547 0.213 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -179.14 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.553 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 33.3 p90 -166.81 -46.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.983 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -175.82 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.511 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -74.16 -53.16 3.93 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 108.3 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.695 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.05 -13.79 21.21 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 84.72 -51.65 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 153.32 39.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -116.86 -3.64 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.4 -31.44 11.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.602 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 10.7 t80 -69.98 -44.23 69.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.5 -23.12 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -96.52 -50.27 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.491 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 74.4 m -57.85 -16.58 12.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.026 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.602 ' OD1' ' CZ ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -100.48 -20.46 15.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.96 21.83 2.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -152.97 20.22 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.19 -66.71 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -74.79 54.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.587 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.91 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.586 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.677 ' C ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -102.57 -15.05 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 24' ' ' THR . 18.7 mmtt -84.28 8.23 16.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.878 HG23 ' HB2' ' A' ' 30' ' ' ALA . 9.3 t -177.02 113.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 72.05 5.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -166.76 -163.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.902 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -132.42 96.92 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -168.07 -43.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 73.5 t -146.22 17.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.878 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -89.63 42.72 1.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 117.69 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.526 1.141 . . . . 0.0 110.943 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.87 -41.88 8.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -157.4 -43.9 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -174.0 47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -65.99 -53.16 35.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 108.297 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 18.4 Cg_endo -74.99 -0.62 10.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 6' ' ' PRO . . . 83.69 -71.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.54 133.03 47.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 108.259 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -163.27 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -116.3 59.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -178.56 -37.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' OD2' ' A' ' 16' ' ' ASP . 89.9 t80 -69.78 -42.95 73.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.45 -23.08 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -81.75 -49.81 9.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -58.45 -16.17 13.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.033 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.576 ' OD2' ' CE2' ' A' ' 12' ' ' PHE . 2.1 m-20 -98.35 -19.67 17.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.42 23.21 1.95 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.922 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -157.95 23.86 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.95 -61.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -80.6 50.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.739 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.4 -39.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.739 HG22 ' NE2' ' A' ' 21' ' ' HIS . 7.9 pt -90.53 -29.3 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HB ' ' A' ' 24' ' ' THR . 20.4 mmtp -89.52 16.36 7.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.877 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.69 117.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 110.426 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.97 75.4 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -170.31 -164.26 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.891 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.86 97.16 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.3 t -167.73 -60.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.05 -6.23 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -72.3 -82.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -50.63 -56.8 10.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.327 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.8 t80 . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.515 0.198 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.1 -54.28 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.405 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 10.2 p90 -138.34 -50.73 0.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -178.43 47.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.504 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -73.8 -53.17 4.32 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 108.31 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.504 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.0 -90.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 41.93 -160.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.5 m 59.83 89.56 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 108.268 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.451 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.2 Cg_endo -75.06 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.442 1.759 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.07 3.66 38.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.28 -34.72 7.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.451 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 4.0 t80 -69.72 -41.76 74.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.955 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.553 ' HE2' ' HD3' ' A' ' 14' ' ' ARG . 1.9 ptm -48.23 -22.7 0.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.553 ' HD3' ' HE2' ' A' ' 13' ' ' MET . 30.9 mmt180 -77.7 -50.45 12.4 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.478 1.112 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.464 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 0.9 OUTLIER -84.14 9.44 12.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.457 ' O ' ' CD ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -100.6 -19.7 16.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.91 32.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.249 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.932 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -170.72 32.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.08 11.99 2.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.971 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -105.31 -13.07 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -1.13 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.55 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.653 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -99.87 -44.66 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -79.77 1.58 26.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 1.032 HG21 ' HB2' ' A' ' 30' ' ' ALA . 4.1 t -171.11 -129.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.405 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 167.25 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.584 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.1 OUTLIER 179.83 -158.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -133.27 85.21 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 27' ' ' ILE . 11.7 t -156.72 -56.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG12 ' CZ ' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -116.88 -8.59 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 1.032 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -64.22 108.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.11 178.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.407 ' CD1' ' C ' ' A' ' 1' ' ' TYR . 2.9 t80 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.499 0.19 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.12 -56.08 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.578 ' CG ' ' N ' ' A' ' 4' ' ' ALA . 24.6 p90 -137.78 -46.31 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -176.21 42.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.495 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -64.02 -53.15 50.83 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.33 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.646 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.01 -83.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.981 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 166.11 -46.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.8 OUTLIER -40.92 101.15 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 108.284 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.99 -162.48 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -113.48 -0.07 14.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.63 -37.81 6.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.473 ' CZ ' ' OD1' ' A' ' 16' ' ' ASP . 91.7 t80 -70.11 -42.72 72.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.554 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.6 ptm -48.43 -23.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 111.054 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 18' ' ' LEU . 37.3 mtt-85 -78.64 -49.38 13.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.4 m -62.81 -12.24 23.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.97 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.498 ' OD2' ' CE ' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -110.61 -20.3 12.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.44 26.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -166.38 30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -144.27 -58.24 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.949 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' CE ' ' OD2' ' A' ' 16' ' ' ASP . 4.1 ptmt -69.38 -14.19 62.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.575 ' CE1' ' HA ' ' A' ' 18' ' ' LEU . 0.1 OUTLIER -102.45 -12.94 17.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.582 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' CG1' ' HA ' ' A' ' 19' ' ' SER . 1.2 pp -108.4 -17.97 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 19' ' ' SER . 8.9 mmtt -90.59 17.64 7.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.742 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.2 t -176.56 113.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.439 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.9 73.51 3.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.634 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -167.16 -162.39 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.924 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -127.85 99.58 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.2 t -169.44 -53.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.143 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -129.39 4.45 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.742 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -84.44 108.76 17.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.443 HD23 ' HE2' ' A' ' 20' ' ' LYS . 3.1 mm? -57.55 -79.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 3' ' ' PHE . 34.8 t80 . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.465 0.174 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.17 34.27 3.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.694 ' CE2' ' HB3' ' A' ' 4' ' ' ALA . 2.3 t80 -50.2 -66.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB3' ' CE2' ' A' ' 3' ' ' PHE . . . -156.7 25.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' N ' ' CD ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -62.67 -52.37 65.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 108.333 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 5' ' ' CYS . 18.3 Cg_endo -75.09 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.87 -170.32 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -135.09 165.2 38.41 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 108.321 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD2' ' CB ' ' A' ' 12' ' ' PHE . 18.3 Cg_endo -74.93 -163.68 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.546 1.813 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 ptpp? -103.01 11.95 36.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -116.51 -34.03 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 11.6 t80 -69.75 -41.92 74.59 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.477 ' CE ' ' HG3' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -48.25 -22.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.1 mtt180 -92.7 -48.4 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -57.99 -15.64 9.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.14 -19.1 13.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -88.19 28.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.921 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -172.51 32.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -144.81 -64.92 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -78.79 50.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.631 ' CE1' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -172.15 -36.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.607 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.631 HG23 ' CE1' ' A' ' 21' ' ' HIS . 2.2 pp -93.95 -23.44 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HB ' ' A' ' 24' ' ' THR . 17.7 mmtp -91.26 25.32 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.778 HG23 ' HB2' ' A' ' 30' ' ' ALA . 15.3 t -177.02 115.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.33 74.0 2.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.61 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -168.16 -165.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.5 pp -127.74 96.29 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.61 -46.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 28' ' ' VAL . 55.5 t -138.27 12.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.778 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -93.75 144.43 25.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 20' ' ' LYS . 4.6 mt -66.97 -81.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.594 ' CE2' ' O ' ' A' ' 3' ' ' PHE . 11.0 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.447 0.165 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.72 -59.49 2.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.594 ' O ' ' CE2' ' A' ' 1' ' ' TYR . 2.4 p90 -152.2 -141.69 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.503 ' N ' ' CG ' ' A' ' 3' ' ' PHE . . . -88.71 93.58 9.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 3' ' ' PHE . 0.5 OUTLIER -178.75 -59.81 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 108.306 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' HD3' ' CB ' ' A' ' 5' ' ' CYS . 18.4 Cg_endo -74.98 -168.95 0.56 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.448 1.762 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 178.24 144.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m 61.42 94.5 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 108.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.817 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -116.42 59.36 0.74 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HA ' ' CD ' ' A' ' 14' ' ' ARG . 25.1 ttp85 -178.33 -37.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.577 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 82.1 t80 -69.77 -42.84 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.605 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.29 -28.8 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' O ' HD12 ' A' ' 18' ' ' LEU . 1.3 mpt_? -86.86 -49.07 7.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 m -63.14 -11.92 23.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.577 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -110.19 -19.85 12.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -87.7 23.66 1.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.907 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -163.55 27.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -142.96 -49.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -85.5 45.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.712 ' NE2' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -171.57 -39.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.62 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.712 HG22 ' NE2' ' A' ' 21' ' ' HIS . 6.3 pt -82.61 -33.48 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.48 ' O ' ' HB ' ' A' ' 24' ' ' THR . 5.5 mmpt? -87.07 11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.626 HG23 ' HB2' ' A' ' 30' ' ' ALA . 14.1 t -177.99 116.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -99.33 74.86 1.95 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -169.43 -163.98 0.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.887 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.3 pp -128.13 96.13 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 27' ' ' ILE . 2.4 t -167.64 -46.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 28' ' ' VAL . 48.0 t -135.78 10.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.626 ' HB2' HG23 ' A' ' 24' ' ' THR . . . -91.45 -157.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -141.21 175.94 9.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.415 ' N ' ' HG ' ' A' ' 31' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.696 ' CE1' ' HB3' ' A' ' 4' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 110.974 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.478 ' HA ' ' CG ' ' A' ' 6' ' ' PRO . . . -114.54 -12.2 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.583 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 53.8 p90 -82.26 5.43 20.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.696 ' HB3' ' CE1' ' A' ' 1' ' ' TYR . . . 170.18 83.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' CB ' ' HD3' ' A' ' 6' ' ' PRO . 0.5 OUTLIER 179.04 -58.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.668 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 18.2 Cg_endo -75.04 -88.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 6' ' ' PRO . . . 164.52 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.1 m -161.49 94.33 1.37 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 111.05 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.51 58.88 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -177.46 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' CZ ' ' OD2' ' A' ' 16' ' ' ASP . 87.1 t80 -69.95 -43.68 71.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -48.38 -27.98 2.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.596 ' O ' HD12 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -88.94 -49.19 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.71 -13.31 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.601 ' OD2' ' CZ ' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -105.51 -19.65 13.72 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 13' ' ' MET . . . -85.67 35.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.44 34.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -141.03 -43.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.707 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -87.24 43.29 1.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.555 ' C ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -171.26 -39.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.614 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.567 HD13 ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -95.43 -40.25 10.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -67.99 -7.32 27.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.716 HG21 ' HB2' ' A' ' 30' ' ' ALA . 2.9 t -164.75 -127.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.455 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 24' ' ' THR . . . 166.9 57.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 28' ' ' VAL . 0.0 OUTLIER 179.92 -158.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.4 pp -132.95 89.03 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.968 HG12 HG23 ' A' ' 29' ' ' VAL . 5.5 t -162.36 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.968 HG23 HG12 ' A' ' 28' ' ' VAL . 16.4 t -129.41 5.8 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 24' ' ' THR . . . -73.9 -55.52 6.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.38 -44.43 62.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.984 . . . . . . . . 0 0 . 1 stop_ save_