data_2js9_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 2js9 _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 ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' CYS . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.718 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.99 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.811 HG11 HG21 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.009 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.111 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.715 ' OD2' HG22 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.568 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.715 HG22 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.72 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.554 ' HG2' HG23 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.537 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.554 HG23 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.718 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 22.4 m170 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.99 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.867 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.811 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.111 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.014 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.009 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.769 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.881 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HZ2' ' HD2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.014 HG23 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.503 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.902 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.608 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.738 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.827 HD21 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.814 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.024 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.662 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.152 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.848 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.72 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.827 ' CD2' HD21 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.475 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.82 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' O ' HD13 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.977 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.152 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.956 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.024 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.686 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' C ' ' A' ' 63' ' ' GLU . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.977 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.543 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' CYS . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.59 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.726 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.511 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.921 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.658 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.898 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.585 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.782 ' O ' HD22 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.729 ' HA ' HD21 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CG ' ' HE2' ' A' ' 34' ' ' GLU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' O ' HD13 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.575 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.917 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.921 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.898 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.734 ' NE2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.013 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.9 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.867 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.879 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.766 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.772 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.013 HG23 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.909 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.841 HD21 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.548 HG11 HG21 ' A' ' 57' ' ' VAL . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG21 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.015 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.649 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' HB3' HG21 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.729 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.841 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.69 ' CD1' HD23 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.591 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' TYR . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.909 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.864 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.666 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.705 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.015 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.004 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.716 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.882 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.004 HG23 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.512 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.689 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.881 HD22 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.976 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.047 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.655 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.711 ' HE3' ' HE2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.76 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.76 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.711 ' HE2' ' HE3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.691 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.633 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.689 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.743 ' O ' HG21 ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.72 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.976 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.72 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.941 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.047 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.865 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.941 HG23 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.79 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.783 ' HB3' ' HE2' ' A' ' 79' ' ' GLU . 70.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.619 ' HE1' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.961 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG23 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 1.025 HD21 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.994 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.961 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.672 ' N ' HG21 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.996 ' CE ' ' HE2' ' A' ' 34' ' ' GLU . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.486 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.459 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.804 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.855 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 1.025 ' CD2' HD21 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.996 ' HE2' ' CE ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' HD22 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CE2' ' HE1' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.522 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' HD12 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.665 ' O ' HD13 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.994 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.963 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.886 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.844 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.968 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.726 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.522 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.783 ' HE2' ' HB3' ' A' ' 5' ' ' SER . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OH ' ' A' ' 52' ' ' TYR . 10.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 1.027 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.83 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.144 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.156 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.793 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 1.027 ' CD2' HD21 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.757 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.464 ' HB3' ' HE2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.579 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.817 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.837 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.83 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.156 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.772 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.144 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.872 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.874 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.955 HG23 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.567 ' H ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.837 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' CYS . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.651 ' HE2' ' SG ' ' A' ' 35' ' ' CYS . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.003 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.646 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.66 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB1' HD13 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.934 ' HA ' HD21 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.934 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.541 ' CD1' HG13 ' A' ' 42' ' ' ILE . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 42' ' ' ILE . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.608 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' THR . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 54' ' ' ASN . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.765 HG21 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.823 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.553 HD13 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.998 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.003 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.736 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.95 ' CG ' ' HE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HE2' ' HE1' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.855 ' HB3' ' HE2' ' A' ' 79' ' ' GLU . 56.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.443 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.828 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.751 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.152 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.58 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.795 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.781 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.545 HG21 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.77 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.622 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.828 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.85 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.0 t-20 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.826 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.152 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.632 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.022 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.015 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 1.051 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.623 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.848 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.855 ' HE2' ' HB3' ' A' ' 5' ' ' SER . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.635 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HA ' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 1.055 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.706 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' CG ' ' HE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.715 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.715 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 1.055 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.688 ' HZ3' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.688 ' HB ' ' HZ3' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' TYR . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.829 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.706 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.991 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.951 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.53 ' CB ' ' HH ' ' A' ' 16' ' ' TYR . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.851 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.991 HG23 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.501 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.563 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' OH ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.617 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.511 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.702 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HZ2' ' ND2' ' A' ' 54' ' ' ASN . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 39' ' ' PHE . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.578 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.536 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.617 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' HZ2' ' A' ' 28' ' ' LYS . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.719 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.987 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.794 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.976 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.83 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 73' ' ' VAL . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.564 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.647 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.937 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.06 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.641 ' N ' HG21 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.077 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.727 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.688 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.61 ' CZ ' HD22 ' A' ' 38' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.582 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.599 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.762 ' O ' HG21 ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.688 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.844 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.937 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.077 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 1.02 ' HB3' HG23 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.06 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.871 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.935 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.02 HG23 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.501 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.533 ' HB2' ' HE2' ' A' ' 79' ' ' GLU . 5.7 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.634 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 1.04 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.654 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.539 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.93 ' HH ' ' HG2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.77 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.868 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.7 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.752 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.752 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.662 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.608 ' HH ' ' HB2' ' A' ' 9' ' ' CYS . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.697 HG21 ' CG2' ' A' ' 12' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.881 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.91 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 1.04 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.93 ' HG2' ' HH ' ' A' ' 16' ' ' TYR . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.699 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 1.046 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.902 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.487 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 1.046 HG21 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HE2' ' HB2' ' A' ' 5' ' ' SER . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.572 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.954 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.879 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.116 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.729 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.622 ' HG ' HG12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' CG ' HG21 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.587 HG21 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.73 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CE2' HD21 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' CYS . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CD2' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.575 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.541 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.954 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.618 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.422 ' O ' ' OG ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.805 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.788 ' HB2' HD23 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.936 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 1.116 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.949 ' HB3' HG23 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.891 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.678 ' HG1' ' HG3' ' A' ' 76' ' ' LYS . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.95 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.763 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 68' ' ' THR . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.95 HG21 ' O ' ' A' ' 69' ' ' ALA . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.611 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.516 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.678 ' HG3' ' HG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.611 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.516 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 1.103 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.933 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.928 HD21 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.672 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.913 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.928 ' CD2' HD21 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.465 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.906 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 1.103 ' CE2' ' HE3' ' A' ' 8' ' ' MET . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.723 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.723 HG21 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.749 HG22 ' HA3' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.749 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.933 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.842 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.913 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.952 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.811 ' HG2' ' HH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.941 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.715 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.952 HG23 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.524 HD22 ' HE2' ' A' ' 62' ' ' HIS . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.72 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.0 OUTLIER 86.52 79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.803 ' C ' HD13 ' A' ' 4' ' ' LEU . . . 161.92 -47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -123.58 -64.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t 35.0 -95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.718 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.99 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.687 HD22 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.811 HG11 HG21 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.009 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.111 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.823 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.715 ' OD2' HG22 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.568 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.43 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.715 HG22 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.72 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.554 ' HG2' HG23 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.529 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.537 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.574 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.554 HG23 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.718 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 22.4 m170 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.99 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.867 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.811 HG21 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.111 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.014 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.009 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.769 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.881 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.484 ' HZ2' ' HD2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.014 HG23 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.503 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.902 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.525 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 167.02 -49.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.009 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' C ' HD23 ' A' ' 4' ' ' LEU . . . -52.85 -66.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD23 ' C ' ' A' ' 3' ' ' ALA . 3.6 mm? -125.68 111.73 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -142.22 -72.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.608 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.738 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.558 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.827 HD21 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.814 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.024 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.662 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.152 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.663 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.52 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.848 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.72 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.827 ' CD2' HD21 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.693 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.717 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.717 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.475 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.82 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' O ' HD13 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.977 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.152 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.956 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.024 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.686 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.402 ' HB ' ' C ' ' A' ' 63' ' ' GLU . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.857 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.72 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.977 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.543 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.612 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.52 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.52 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.55 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 9.2 p -175.75 -172.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 74.79 -63.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.799 HD11 ' CE2' ' A' ' 39' ' ' PHE . 23.2 mt -119.81 -80.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m 62.5 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 9' ' ' CYS . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.643 ' HE1' ' HB2' ' A' ' 4' ' ' LEU . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.726 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD22 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.921 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.9 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.658 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.898 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.682 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.585 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.686 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.585 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.773 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.782 ' O ' HD22 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.729 ' HA ' HD21 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' CG ' ' HE2' ' A' ' 34' ' ' GLU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.729 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.799 ' CE2' HD11 ' A' ' 4' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' O ' HD13 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.575 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.917 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.921 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.898 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.734 ' NE2' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.013 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.9 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.867 ' CG ' ' HH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.879 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.766 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.772 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.013 HG23 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.917 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.5 m -159.21 82.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.036 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 172.23 107.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 75.65 -58.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -32.41 -52.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.909 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.841 HD21 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.548 HG11 HG21 ' A' ' 57' ' ' VAL . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.996 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG21 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.015 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.592 ' CD ' HD23 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.649 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' HB3' HG21 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.717 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.729 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.841 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.509 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.69 HD23 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.69 ' CD1' HD23 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.475 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.591 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 52' ' ' TYR . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.909 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.864 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.429 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.666 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.705 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.015 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.004 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.996 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.716 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.882 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.794 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.004 HG23 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.512 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -89.83 44.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.05 109.91 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.982 HD23 ' HE3' ' A' ' 8' ' ' MET . 0.5 OUTLIER 75.68 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -33.72 -55.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.982 ' HE3' HD23 ' A' ' 4' ' ' LEU . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.538 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.881 HD22 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.976 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.047 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.655 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.711 ' HE3' ' HE2' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.76 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' HB1' HD13 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.76 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.881 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.571 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.711 ' HE2' ' HE3' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.691 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.691 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.633 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.633 HG21 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.689 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.743 ' O ' HG21 ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.72 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.976 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.72 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.941 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.047 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.865 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.683 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.941 HG23 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.79 ' HG ' ' HE2' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.597 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.539 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ARG . 19.4 t 39.07 48.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -160.75 113.49 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.604 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 3.3 mm? 70.47 -58.5 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.783 ' HB3' ' HE2' ' A' ' 79' ' ' GLU . 70.7 m -28.41 -47.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.619 ' HE1' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.961 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' HG23 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.025 HD21 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.994 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.961 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.672 ' N ' HG21 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.996 ' CE ' ' HE2' ' A' ' 34' ' ' GLU . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.963 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.486 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.459 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.804 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.481 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.855 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 1.025 ' CD2' HD21 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.855 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.996 ' HE2' ' CE ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.554 ' HB2' HD22 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CE2' ' HE1' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.558 HD13 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.627 ' OH ' HD12 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.665 ' O ' HD13 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.994 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.963 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.886 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.844 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.767 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 70' ' ' PRO . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.968 HG21 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.726 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.522 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.642 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.783 ' HE2' ' HB3' ' A' ' 5' ' ' SER . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.522 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.496 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -161.91 121.79 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.81 -24.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' HB3' ' HE1' ' A' ' 8' ' ' MET . 1.8 mm? -61.12 -45.48 94.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' OH ' ' A' ' 52' ' ' TYR . 10.6 m -38.38 -41.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.553 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.669 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.519 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.027 HD21 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.83 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.144 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.156 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.685 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.627 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.552 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.793 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.825 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 1.027 ' CD2' HD21 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.825 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.757 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.628 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.628 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.464 ' HB3' ' HE2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.579 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.817 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.837 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.83 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.156 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.772 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.955 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.144 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.872 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.874 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.955 HG23 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.567 ' H ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.837 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.493 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.678 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 11.4 p -134.72 177.53 7.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 83.12 -70.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.597 HD22 ' CE2' ' A' ' 39' ' ' PHE . 6.9 mt -97.01 -83.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t 64.79 -74.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' LEU . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.651 ' HE2' ' SG ' ' A' ' 35' ' ' CYS . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.756 HD22 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.765 HG11 HG21 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.003 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.646 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.66 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' HB3' HG21 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.553 ' HB1' HD13 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.413 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.548 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.646 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.756 ' O ' HD22 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.934 ' HA ' HD21 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.934 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CE2' HD22 ' A' ' 4' ' ' LEU . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 42' ' ' ILE . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.608 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.608 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' THR . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 54' ' ' ASN . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.765 HG21 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.823 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.553 HD13 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.998 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.003 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.529 HG23 HG21 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.736 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.998 HG23 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.95 ' CG ' ' HE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.589 ' HE2' ' HE1' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.486 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -174.39 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -166.35 114.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.817 HD21 ' HE1' ' A' ' 8' ' ' MET . 2.1 mp 72.17 -54.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.855 ' HB3' ' HE2' ' A' ' 79' ' ' GLU . 56.6 m -36.02 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.817 ' HE1' HD21 ' A' ' 4' ' ' LEU . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.828 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.751 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.015 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.152 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.786 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.58 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.559 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.795 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.781 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.781 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.552 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HA ' HG23 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.612 ' O ' HD21 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.545 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.545 HG21 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.77 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CD2' ' HD3' ' A' ' 47' ' ' ARG . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.622 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.828 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.85 ' O ' HG21 ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.0 t-20 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.826 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.152 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.632 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.022 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.015 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 63' ' ' GLU . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 1.051 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.051 HG21 ' O ' ' A' ' 69' ' ' ALA . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.623 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.848 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.855 ' HE2' ' HB3' ' A' ' 5' ' ' SER . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.679 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 84.9 p -93.17 98.1 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.792 ' O ' HD23 ' A' ' 4' ' ' LEU . . . 163.29 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.792 HD23 ' O ' ' A' ' 3' ' ' ALA . 4.1 mm? -130.97 -57.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -31.17 -53.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.948 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.635 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HA ' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 1.055 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.706 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.951 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' CG ' ' HE2' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.876 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.715 ' HG ' ' CG1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' HE3' ' A' ' 28' ' ' LYS . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.715 ' CG1' ' HG ' ' A' ' 19' ' ' SER . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.679 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.847 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 1.055 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.658 ' HA ' HD21 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.688 ' HZ3' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.688 ' HB ' ' HZ3' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.452 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.635 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' TYR . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.829 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.706 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.876 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.991 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.951 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.53 ' CB ' ' HH ' ' A' ' 16' ' ' TYR . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.851 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.991 HG23 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.501 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.563 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.941 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 179.56 2.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.615 ' HB3' ' HE1' ' A' ' 8' ' ' MET . 4.5 mm? -58.86 -66.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -31.84 -49.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.617 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.511 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.909 HD21 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.702 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.976 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.644 ' N ' HG21 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.987 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.58 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.613 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HA ' HD13 ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.613 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.581 ' HZ2' ' ND2' ' A' ' 54' ' ' ASN . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.475 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.909 ' CD2' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 36' ' ' LYS . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.527 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 39' ' ' PHE . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.578 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.536 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.502 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.617 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.581 ' ND2' ' HZ2' ' A' ' 28' ' ' LYS . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.719 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.702 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.987 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.794 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.976 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.462 ' HB3' ' HH ' ' A' ' 16' ' ' TYR . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.83 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.731 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 73' ' ' VAL . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.054 HG13 HD21 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.564 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.629 HG23 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.629 ' N ' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 1.054 HD21 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.547 ' HG3' ' HG ' ' A' ' 5' ' ' SER . 15.6 ttp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 44.5 t 179.14 145.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 72.74 -64.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.657 HD12 ' CE1' ' A' ' 39' ' ' PHE . 2.1 mm? -72.53 -64.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.547 ' HG ' ' HG3' ' A' ' 1' ' ' ARG . 0.1 OUTLIER -32.68 -70.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.078 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.647 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.636 ' HA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.937 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.06 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.641 ' N ' HG21 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.077 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.654 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.611 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HA ' ' HZ3' ' A' ' 28' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG21 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.727 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.688 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.544 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.671 ' O ' HD22 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD22 ' CZ ' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.657 ' CE1' HD12 ' A' ' 4' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.634 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.546 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.582 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.599 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.647 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.762 ' O ' HG21 ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.688 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.844 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.937 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.077 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 1.02 ' HB3' HG23 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.06 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.871 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.935 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.02 HG23 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.844 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.501 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER 162.9 174.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.51 -49.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD13 ' HE2' ' A' ' 39' ' ' PHE . 1.4 pp -128.72 60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.533 ' HB2' ' HE2' ' A' ' 79' ' ' GLU . 5.7 p -89.84 -24.39 21.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.634 ' HE2' ' HB3' ' A' ' 48' ' ' GLU . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.692 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.953 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 1.04 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.654 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.539 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.93 ' HH ' ' HG2' ' A' ' 65' ' ' GLU . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.77 ' HG ' ' CD1' ' A' ' 27' ' ' ILE . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.868 ' HB3' HG21 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.799 HD13 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.758 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.844 ' CE2' HD21 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.758 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.953 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.7 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.441 ' HB3' ' HZ1' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.798 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.752 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.752 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.662 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.608 ' HH ' ' HB2' ' A' ' 9' ' ' CYS . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.829 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.697 HG21 ' CG2' ' A' ' 12' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.881 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.91 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 1.04 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.93 ' HG2' ' HH ' ' A' ' 16' ' ' TYR . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.699 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 1.046 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.902 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.487 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 1.046 HG21 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.533 ' HE2' ' HB2' ' A' ' 5' ' ' SER . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -164.88 86.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -172.95 70.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD13 ' CE1' ' A' ' 39' ' ' PHE . 3.7 pp 35.42 50.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -86.92 -20.78 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.572 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.954 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.879 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.116 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.729 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.622 ' HG ' HG12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.433 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' CG ' HG21 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.587 HG21 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.861 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.54 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.73 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.766 ' CE2' HD21 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.73 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.975 ' CE1' HD13 ' A' ' 4' ' ' LEU . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CD2' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.575 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.541 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.541 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.454 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' HB3' ' HE2' ' A' ' 8' ' ' MET . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.954 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.618 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.422 ' O ' ' OG ' ' A' ' 55' ' ' SER . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.805 ' O ' HD13 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.788 ' HB2' HD23 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.936 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 1.116 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.949 ' HB3' HG23 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.891 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.678 ' HG1' ' HG3' ' A' ' 76' ' ' LYS . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.95 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.763 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' O ' HG22 ' A' ' 68' ' ' THR . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.95 HG21 ' O ' ' A' ' 69' ' ' ALA . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.611 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.516 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.678 ' HG3' ' HG1' ' A' ' 68' ' ' THR . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.611 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.516 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -110.84 -17.45 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.9 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.812 HD13 HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -171.16 127.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.496 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p -173.41 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 1.103 ' HE3' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.933 ' CA ' ' HH ' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.928 HD21 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.802 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.672 ' N ' HG21 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.66 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.913 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.676 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.676 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' HB3' HG21 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 25' ' ' ASN . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.699 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.928 ' CD2' HD21 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.465 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.906 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 1.103 ' CE2' ' HE3' ' A' ' 8' ' ' MET . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.723 ' CD2' HG21 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.723 HG21 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.812 HD11 HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.749 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.933 ' HH ' ' CA ' ' A' ' 9' ' ' CYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.842 ' O ' HG21 ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.712 HD12 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.913 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.952 ' HB3' HG23 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.811 ' HG2' ' HH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.941 ' HG1' ' HE2' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.731 ' O ' HG21 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.715 ' HA ' HD22 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB3' HG21 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.952 HG23 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 78' ' ' ASN . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.524 HD22 ' HE2' ' A' ' 62' ' ' HIS . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' CYS . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.739 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG11 HG23 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.997 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.128 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.821 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.706 ' OD2' HG21 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.731 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' HG22 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 2.8 m-70 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.771 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.128 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.006 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.997 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.006 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' SER . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.162 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.728 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.838 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.738 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' O ' HD12 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.162 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.962 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.73 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.53 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.604 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD21 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.904 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.603 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HA ' HD23 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.898 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.904 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.921 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.927 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.028 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.697 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.028 HG22 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.927 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' N ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.034 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CD ' HD22 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.558 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.722 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.743 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.689 HD22 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' HD22 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.557 HG22 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.706 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.034 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.98 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.436 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.889 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.989 HG22 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.513 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.607 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.869 HD21 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.961 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.021 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' HG23 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' HG21 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.869 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.673 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.612 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.961 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.021 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.975 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.035 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 69' ' ' ALA . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.693 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.975 HG22 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.768 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.609 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.941 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.035 HD23 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.971 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 19' ' ' SER . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.864 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.035 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.749 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB2' HD21 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CE2' ' CE ' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.622 ' OH ' HD11 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.971 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.923 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.854 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.776 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.709 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.523 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.569 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.523 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.816 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.156 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.168 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.683 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.839 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 1.033 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.825 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.816 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.168 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.649 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.972 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.156 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.972 HG22 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' CYS . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.665 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.665 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.731 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.935 ' HA ' HD23 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' HG13 ' A' ' 42' ' ' ILE . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.672 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.818 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.54 HD12 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.012 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.004 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 HG23 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.75 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.75 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.012 HG22 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.684 HD21 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.158 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.773 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.792 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.589 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.803 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.803 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' HB3' ' O ' ' A' ' 43' ' ' PRO . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.821 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.158 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.058 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.026 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.058 HG22 ' HB3' ' A' ' 63' ' ' GLU . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.61 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.527 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.574 ' CB ' ' CE2' ' A' ' 52' ' ' TYR . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.95 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.843 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 1.033 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.65 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HZ2' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.4 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HZ2' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.686 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.005 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.95 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.619 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.005 HG22 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.504 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.626 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.566 ' O ' HG22 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.918 HD23 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.683 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.974 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.918 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' HD23 ' A' ' 38' ' ' LEU . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.782 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.974 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.086 HG13 HD23 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.523 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.086 HD23 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.658 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.055 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.093 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.665 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.629 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.729 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.692 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.645 ' O ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' A' ' 38' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 46' ' ' THR . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.821 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.093 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.01 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.055 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 ' OE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.01 HG22 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.619 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.676 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 1.03 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.889 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.894 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.894 HG23 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.842 ' CD2' HD23 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.806 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.778 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.668 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.835 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.686 HG23 HG11 ' A' ' 73' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.889 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.492 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.587 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.858 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 1.125 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' CG ' HG23 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG23 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.862 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' CYS . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.508 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.546 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.803 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HB2' HD22 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.934 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.125 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.672 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.985 ' HB3' HG22 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.536 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.955 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.771 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.985 HG22 ' HB3' ' A' ' 63' ' ' GLU . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 0.618 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.618 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.566 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.701 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.944 HD23 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.924 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 42' ' ' ILE . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.787 HG22 ' HA3' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.787 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.924 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.599 ' HE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.966 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HG2' ' OH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.498 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 62' ' ' HIS . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.708 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.0 OUTLIER 86.52 79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.801 ' C ' HD13 ' A' ' 4' ' ' LEU . . . 161.92 -47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -123.58 -64.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t 35.0 -95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.739 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG11 HG23 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.997 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.128 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.821 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.706 ' OD2' HG21 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.731 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' HG22 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 2.8 m-70 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.771 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.662 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.128 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.006 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.997 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.006 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 167.02 -49.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.009 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.695 ' C ' HD22 ' A' ' 4' ' ' LEU . . . -52.85 -66.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 3' ' ' ALA . 3.6 mm? -125.68 111.73 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -142.22 -72.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' SER . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.162 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.728 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.838 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.738 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' O ' HD12 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.162 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.48 ' ND1' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.962 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.73 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.53 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 9.2 p -175.75 -172.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 74.79 -63.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 39' ' ' PHE . 23.2 mt -119.81 -80.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m 62.5 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.604 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD21 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.904 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.603 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HA ' HD23 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 4' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.898 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.904 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.921 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.927 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.028 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.697 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.028 HG22 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.927 HD21 ' CE1' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.5 m -159.21 82.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.036 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 172.23 107.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 75.65 -58.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -32.41 -52.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' N ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.034 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CD ' HD22 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.558 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.722 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.743 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.689 HD22 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' HD22 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.557 HG22 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.706 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.034 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.535 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.98 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.436 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.889 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.989 HG22 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.513 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -89.83 44.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.05 109.91 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD22 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER 75.68 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -33.72 -55.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.767 ' HE2' HD22 ' A' ' 4' ' ' LEU . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.869 HD21 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.961 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.021 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' HG23 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' HG21 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.869 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.673 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.612 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.961 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.021 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.562 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.975 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.035 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 69' ' ' ALA . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.693 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.975 HG22 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.768 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ARG . 19.4 t 39.07 48.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -160.75 113.49 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 3.3 mm? 70.47 -58.5 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 4' ' ' LEU . 70.7 m -28.41 -47.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.609 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.941 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.035 HD23 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.971 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 19' ' ' SER . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.864 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.035 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.749 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB2' HD21 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CE2' ' CE ' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.622 ' OH ' HD11 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.971 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.511 ' N ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.923 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.854 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.776 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.709 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.523 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.569 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.523 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -161.91 121.79 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.81 -24.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . 1.8 mm? -61.12 -45.48 94.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' LEU . 10.6 m -38.38 -41.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.816 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.156 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.168 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.683 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.839 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 1.033 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.825 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.816 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.168 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.649 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.972 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.156 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.972 HG22 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.689 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 11.4 p -134.72 177.53 7.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 83.12 -70.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD21 ' CE2' ' A' ' 39' ' ' PHE . 6.9 mt -97.01 -83.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t 64.79 -74.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' LEU . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.665 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.665 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.731 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.935 ' HA ' HD23 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 4' ' ' LEU . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.672 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.818 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.54 HD12 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.012 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.004 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 HG23 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.75 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.75 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.012 HG22 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -174.39 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -166.35 114.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' HE2' ' A' ' 8' ' ' MET . 2.1 mp 72.17 -54.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' LEU . 56.6 m -36.02 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 4' ' ' LEU . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.684 HD21 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.158 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.773 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.792 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.803 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.803 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' HB3' ' O ' ' A' ' 43' ' ' PRO . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.6 OUTLIER 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.821 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.158 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.497 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.058 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.026 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.058 HG22 ' HB3' ' A' ' 63' ' ' GLU . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.61 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.527 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 84.9 p -93.17 98.1 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 4' ' ' LEU . . . 163.29 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 3' ' ' ALA . 4.1 mm? -130.97 -57.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -31.17 -53.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.948 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.574 ' CB ' ' CE2' ' A' ' 52' ' ' TYR . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.95 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.843 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 1.033 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.65 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HZ2' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.4 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HZ2' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.686 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.005 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.95 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.619 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.005 HG22 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.504 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 179.56 2.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 5' ' ' SER . 4.5 mm? -58.86 -66.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -31.84 -49.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.626 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.566 ' O ' HG22 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.918 HD23 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.683 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.974 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.918 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' HD23 ' A' ' 38' ' ' LEU . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.591 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.782 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.974 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.086 HG13 HD23 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.523 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.086 HD23 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.529 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 44.5 t 179.14 145.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 72.74 -64.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD12 ' CE1' ' A' ' 39' ' ' PHE . 2.1 mm? -72.53 -64.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -32.68 -70.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.078 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.658 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.055 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.093 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.665 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.729 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.692 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.645 ' O ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CE1' HD12 ' A' ' 4' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 46' ' ' THR . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.821 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.093 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.01 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.055 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 ' OE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.01 HG22 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER 162.9 174.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.51 -49.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.758 HD13 ' HE2' ' A' ' 39' ' ' PHE . 1.4 pp -128.72 60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -89.84 -24.39 21.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.619 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.676 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 1.03 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.889 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.894 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.894 HG23 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.842 ' CD2' HD23 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.806 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.778 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.668 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.835 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.652 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.686 HG23 HG11 ' A' ' 73' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.889 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.545 ' CB ' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.492 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -164.88 86.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -172.95 70.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD13 ' CE1' ' A' ' 39' ' ' PHE . 3.7 pp 35.42 50.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -86.92 -20.78 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.587 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.858 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 1.125 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' CG ' HG23 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG23 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.862 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.975 ' CE1' HD13 ' A' ' 4' ' ' LEU . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.508 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.508 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.546 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.803 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HB2' HD22 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.934 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.125 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.672 ' CE1' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.985 ' HB3' HG22 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.536 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.955 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.771 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.985 HG22 ' HB3' ' A' ' 63' ' ' GLU . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.618 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.618 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -110.84 -17.45 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.9 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.807 HD13 HD13 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -171.16 127.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p -173.41 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.566 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.701 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.944 HD23 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.924 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CE1' HD12 ' A' ' 4' ' ' LEU . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.787 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.924 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.599 ' HE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.966 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HG2' ' OH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.498 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 62' ' ' HIS . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 9' ' ' CYS . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.739 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.771 HG11 HG23 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.997 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.128 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.821 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.706 ' OD2' HG21 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.731 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' HG22 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 22.4 m170 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.771 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.128 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.006 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.997 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.445 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.006 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.8 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' SER . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.162 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.728 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.838 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.738 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' O ' HD12 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.162 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.962 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.73 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.53 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.604 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.776 HD21 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.904 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.879 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.603 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.776 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HA ' HD23 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.898 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.904 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.921 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.73 ' NE2' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.028 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.697 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.028 HG22 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.898 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' N ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.034 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CD ' HD22 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.558 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.722 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.743 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.689 HD22 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' HD22 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.557 HG22 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.666 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.706 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.034 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.98 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.436 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.889 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.989 HG22 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.513 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.607 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.869 HD21 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.961 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.021 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' HG23 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' HG21 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.869 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.673 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.612 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.72 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.961 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.021 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.72 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.975 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.035 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 69' ' ' ALA . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.693 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.975 HG22 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.768 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.609 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.941 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.035 HD23 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.971 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 19' ' ' SER . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.864 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.035 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.749 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB2' HD21 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CE2' ' CE ' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.622 ' OH ' HD11 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.971 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.923 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.854 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.776 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.709 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.523 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.569 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.523 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.816 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.156 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.168 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.683 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.839 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 1.033 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.825 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.816 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.168 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.772 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.972 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.156 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.972 HG22 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' CYS . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.665 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.665 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.731 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.935 ' HA ' HD23 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.551 ' CD1' HG13 ' A' ' 42' ' ' ILE . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.672 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.818 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.54 HD12 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.012 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.004 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 HG23 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.75 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.75 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.012 HG22 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.459 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.684 HD21 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.158 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.773 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.792 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.589 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.803 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.803 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.621 ' HB3' ' O ' ' A' ' 43' ' ' PRO . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.0 t-20 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.821 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.158 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.632 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.058 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.026 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.058 HG22 ' HB3' ' A' ' 63' ' ' GLU . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.61 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.527 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.574 ' CB ' ' CE2' ' A' ' 52' ' ' TYR . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.033 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.95 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.843 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 1.033 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.65 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HZ2' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HZ2' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.686 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.005 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.95 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.619 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.005 HG22 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.504 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.577 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.626 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.566 ' O ' HG22 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.918 HD23 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.683 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.974 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.53 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.918 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' HD23 ' A' ' 38' ' ' LEU . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.578 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.719 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.782 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.974 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.086 HG13 HD23 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.523 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.086 HD23 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.658 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.055 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.093 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.665 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.629 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.729 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.692 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.645 ' O ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' A' ' 38' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 46' ' ' THR . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.821 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.093 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.01 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.055 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 ' OE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.01 HG22 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.619 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.676 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 1.03 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.632 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.889 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.894 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.894 HG23 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.842 ' CD2' HD23 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.806 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.778 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.668 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.835 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.686 HG23 HG11 ' A' ' 73' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.889 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.492 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.587 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.858 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 1.125 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.436 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' CG ' HG23 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.595 HG23 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.862 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 35' ' ' CYS . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CD2' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.575 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.546 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.453 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.803 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HB2' HD22 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.934 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.125 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.985 ' HB3' HG22 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.536 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.955 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.771 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.985 HG22 ' HB3' ' A' ' 63' ' ' GLU . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 0.618 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.535 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.618 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.566 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.701 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.944 HD23 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.924 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 42' ' ' ILE . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.787 HG22 ' HA3' ' A' ' 45' ' ' GLY . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.787 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.924 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.966 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HG2' ' OH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.498 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.642 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.509 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.708 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 1.0 OUTLIER 86.52 79.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.951 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.801 ' C ' HD13 ' A' ' 4' ' ' LEU . . . 161.92 -47.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.801 HD13 ' C ' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -123.58 -64.74 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' CYS . 28.5 t 35.0 -95.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.0 t -38.25 -64.19 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.8 mp0 -36.56 -59.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.343 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.577 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 12.4 mtt -48.68 -42.33 34.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.739 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -60.91 -33.45 73.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.0 tt0 -78.02 -6.06 53.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.676 HD21 ' O ' ' A' ' 31' ' ' PHE . 23.6 tp -91.93 -56.71 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.771 HG11 HG23 ' A' ' 57' ' ' VAL . 18.6 m -55.1 -46.76 77.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.997 HG12 HD11 ' A' ' 64' ' ' LEU . 30.5 m -62.8 -59.8 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -44.03 -34.42 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 19' ' ' SER . 75.7 mmtt -79.29 -40.2 31.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.128 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.33 -70.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.821 ' HG2' HD13 ' A' ' 64' ' ' LEU . 12.3 mm-40 -42.41 -36.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.56 44.6 1.4 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.653 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -93.46 -50.94 5.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.33 -1.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.706 ' OD2' HG21 ' A' ' 26' ' ' VAL . 7.3 t0 -113.06 -12.47 13.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt 42.6 60.13 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.589 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -146.11 118.47 8.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.1 -9.93 35.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.5 t30 -79.91 -50.23 10.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.706 HG21 ' OD2' ' A' ' 21' ' ' ASP . 1.8 t -76.61 -11.48 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.687 HG21 ' HB2' ' A' ' 16' ' ' TYR . 70.3 mt -91.13 -70.95 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HB3' HG11 ' A' ' 57' ' ' VAL . 7.4 ptmt -40.1 -41.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 11.3 mtpp -68.42 -51.69 41.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.731 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -46.38 -53.04 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.716 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 3.5 t80 -45.49 -53.13 9.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -52.34 -26.18 11.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.21 -58.35 4.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.563 ' HB3' HD11 ' A' ' 11' ' ' LEU . 4.7 tp10 -85.86 23.28 1.48 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.605 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 12.2 t -121.07 -50.93 2.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 108.347 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' HG2' HG22 ' A' ' 46' ' ' THR . 4.7 mtpt -64.55 -55.41 20.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -63.83 -44.93 91.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 38' ' ' LEU . 0.6 OUTLIER -61.81 -58.51 7.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.422 ' CD2' ' HG ' ' A' ' 38' ' ' LEU . 62.1 m-85 -94.98 34.78 1.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CA ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -68.45 -39.7 81.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.637 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.8 p -90.86 49.03 1.59 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.395 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.551 HG22 ' CD1' ' A' ' 44' ' ' PHE . 2.4 mm -130.54 139.94 37.13 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.539 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.99 10.99 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CD1' HG22 ' A' ' 42' ' ' ILE . 0.3 OUTLIER -174.09 40.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -90.91 -72.17 1.24 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 36' ' ' LYS . 55.6 p -52.27 -36.26 52.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 0.775 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 1.7 mmm180 -61.81 -56.57 18.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -27.7 68.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.298 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 73.3 m -60.94 -58.72 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.78 -11.33 35.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 47' ' ' ARG . 22.4 m170 -99.16 0.28 43.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 15.1 t80 -111.52 -48.72 3.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.89 53.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 175.47 39.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.76 -40.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -106.47 1.77 25.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.771 HG23 HG11 ' A' ' 12' ' ' VAL . 1.2 t -98.95 -22.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.662 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -79.87 -42.92 1.5 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.714 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -53.52 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.736 HG23 HG11 ' A' ' 73' ' ' VAL . 16.0 mt -46.7 -53.51 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.128 HG23 ' CE2' ' A' ' 16' ' ' TYR . 59.7 mt -62.97 -22.14 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.714 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -71.33 -19.83 62.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.61 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.006 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -87.33 -45.89 10.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 110.265 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.997 HD11 HG12 ' A' ' 13' ' ' VAL . 15.2 mt -65.49 -34.19 77.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 23.2 mt-10 -68.83 -42.63 76.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.05 -43.06 97.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 149.37 -17.97 1.16 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.9 m -54.26 147.45 13.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 0.775 . . . . 0.0 110.384 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.892 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -82.54 161.7 58.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.4 Cg_endo -74.96 50.62 2.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -152.64 -44.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -84.37 -8.17 59.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.006 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.5 t -58.83 -92.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -29.57 -52.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.497 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 97.2 m -45.19 -57.78 3.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -48.19 -42.56 30.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD21 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.72 35.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 75' ' ' THR . 5.7 t-20 37.78 31.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.54 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.5 OUTLIER -91.85 -36.88 13.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.282 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.5 m -103.14 135.61 19.37 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 108.312 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.135 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.987 -0.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.6 OUTLIER 167.02 -49.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.574 1.171 . . . . 0.0 110.009 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.695 ' C ' HD22 ' A' ' 4' ' ' LEU . . . -52.85 -66.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 3' ' ' ALA . 3.6 mm? -125.68 111.73 15.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -142.22 -72.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.019 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 42.1 t -52.64 -56.1 17.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 108.325 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -41.78 -60.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.32 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 6.3 mtt -45.03 -40.04 6.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.55 -38.39 90.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.529 1.143 . . . . 0.0 108.264 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 18.8 tt0 -70.75 -6.69 39.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 31' ' ' PHE . 54.7 tp -94.6 -42.73 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.8 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.4 m -70.75 -42.54 77.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.258 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.002 HG12 HD11 ' A' ' 64' ' ' LEU . 34.3 m -65.18 -60.33 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.225 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.98 -32.98 4.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' SER . 29.6 mmtt -77.92 -39.03 44.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.162 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -82.54 -73.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.593 1.183 . . . . 0.0 110.952 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 1.8 pp20? -42.47 -31.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.22 45.19 1.28 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.561 1.163 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.677 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.7 -50.31 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.953 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.48 -4.99 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -109.52 -13.44 14.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 44.44 54.43 6.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.235 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.545 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -133.08 102.03 5.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.31 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.62 -16.82 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 1.1 m120 -73.87 -63.53 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.0 t -64.0 -15.83 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 16' ' ' TYR . 84.0 mt -82.39 -67.49 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.8 ptpp? -46.84 -41.88 16.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -48.45 69.24 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.542 1.151 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.728 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -48.01 -53.6 15.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.395 1.059 . . . . 0.0 109.293 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.838 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.9 t80 -44.38 -54.62 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -58.54 -24.6 61.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.728 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -68.28 -72.36 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.728 ' HB3' HD11 ' A' ' 11' ' ' LEU . 35.2 tp10 -51.82 -34.13 38.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.494 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -63.69 -56.48 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 108.311 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -38.36 -31.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' N ' ' C ' ' A' ' 35' ' ' CYS . 0.0 OUTLIER -95.96 -50.03 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.738 HD13 ' CZ ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -51.48 -51.29 56.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.604 1.19 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.738 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -113.98 48.16 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 111.08 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CB ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -75.69 -40.91 55.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.4 t -100.9 42.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.374 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' HA3' ' A' ' 45' ' ' GLY . 3.0 mt -125.27 139.63 34.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.551 ' C ' ' CG ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.97 115.17 4.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.501 1.79 . . . . 0.0 111.017 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.3 m-85 75.1 1.38 3.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.513 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -57.49 -50.81 61.98 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.2 p -70.91 -27.22 63.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 0.779 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -67.82 -58.43 4.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.249 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.42 -33.56 59.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -60.32 -53.63 55.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 108.356 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -63.41 -13.14 36.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 1.72 33.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 0.0 109.587 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 21.9 t80 -106.31 -39.98 5.75 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.0 m -82.58 51.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 59.0 t30 178.25 44.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.9 t 169.42 -33.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.971 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' O ' HD12 ' A' ' 60' ' ' ILE . 9.3 mttt -115.31 1.32 13.73 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.2 t -97.97 -23.01 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.651 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -78.22 -43.74 2.16 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.7 Cg_endo -74.93 -51.33 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.515 1.798 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.978 HG23 HG11 ' A' ' 73' ' ' VAL . 30.6 mt -46.17 -54.54 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.162 HG23 ' CE2' ' A' ' 16' ' ' TYR . 69.7 mt -59.78 -25.52 32.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -69.97 -20.25 63.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.591 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.962 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -84.47 -48.72 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.552 1.158 . . . . 0.0 110.291 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.002 HD11 HG12 ' A' ' 13' ' ' VAL . 9.2 mt -63.78 -36.36 83.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 7.3 mt-10 -62.6 -44.22 96.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.88 -41.51 99.86 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.498 1.123 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.35 -18.82 1.04 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.5 m -47.86 165.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 0.775 . . . . 0.0 110.438 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -104.51 172.45 4.11 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.73 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.95 -14.29 21.29 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.563 1.823 . . . . 0.0 111.046 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -110.58 44.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' C ' ' A' ' 73' ' ' VAL . 6.7 m-20 -165.71 -41.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.978 HG11 HG23 ' A' ' 60' ' ' ILE . 13.2 t -32.79 -80.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.359 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.53 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -35.04 -49.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 108.313 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.475 ' CB ' ' O ' ' A' ' 72' ' ' ASP . 0.2 OUTLIER -50.14 -48.98 53.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 110.393 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 73' ' ' VAL . 1.6 tptp -44.54 -50.75 9.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.555 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -90.36 33.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.6 OUTLIER 42.76 26.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.148 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -80.25 -26.26 39.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.24 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.501 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 41.6 t -122.14 135.94 25.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.578 1.174 . . . . 0.0 108.313 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 C-N-CA 120.968 -2.513 . . . . 0.0 111.011 0.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 9.2 p -175.75 -172.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.041 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 74.79 -63.77 0.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.8 HD11 ' CE2' ' A' ' 39' ' ' PHE . 23.2 mt -119.81 -80.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.1 m 62.5 -82.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.983 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 49.0 t -56.72 -65.77 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' A' ' 10' ' ' GLU . 26.8 mt-30 -38.36 -53.65 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.604 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 14.1 mtt -45.47 -38.8 6.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -64.18 -37.4 87.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.507 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -73.26 -6.02 43.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.353 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.776 HD21 ' O ' ' A' ' 31' ' ' PHE . 46.6 tp -92.79 -50.1 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.904 ' CG2' HG21 ' A' ' 60' ' ' ILE . 12.6 m -63.74 -45.72 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.879 HG12 HD11 ' A' ' 64' ' ' LEU . 31.1 m -64.15 -59.18 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.3 ttpp -45.48 -29.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' O ' ' CA ' ' A' ' 19' ' ' SER . 51.5 mmtt -82.15 -40.04 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.921 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.56 -67.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 111.006 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -48.13 -37.46 15.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.59 33.5 5.76 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.692 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.7 p -74.83 -61.54 1.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.001 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.89 -6.45 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -106.96 -20.47 13.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt 54.79 51.26 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.603 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.3 OUTLIER -136.38 85.28 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.66 ' HA ' HD12 ' A' ' 27' ' ' ILE . . . -41.22 -28.29 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.5 m-20 -64.86 -53.22 50.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.603 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.3 t -74.83 -3.01 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.771 HG21 ' HB2' ' A' ' 16' ' ' TYR . 85.4 mt -90.09 -50.8 12.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -68.01 -36.39 79.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.352 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -64.65 -53.81 41.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -46.26 -56.97 5.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.776 ' O ' HD21 ' A' ' 11' ' ' LEU . 2.8 t80 -37.38 -52.22 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 111.009 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -69.32 -38.05 78.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 30' ' ' ASP . . . -52.29 -51.31 59.3 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' CYS . 9.1 tp10 -72.05 -66.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.744 ' HA ' HD23 ' A' ' 38' ' ' LEU . 43.3 t -37.58 -33.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 40' ' ' HIS . 2.6 mmmt -59.3 -69.56 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 7.3 ptpp? -62.87 -39.9 95.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -57.89 -56.25 24.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.8 ' CE2' HD11 ' A' ' 4' ' ' LEU . 5.2 m-30 -116.64 54.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.044 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.6 t60 -77.49 -22.64 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 42' ' ' ILE . 36.8 p -93.29 -37.98 11.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 110.4 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG23 ' HD2' ' A' ' 43' ' ' PRO . 31.5 mm -39.92 141.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 103.55 1.75 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.526 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 2.6 m-85 75.08 0.05 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.19 -32.79 44.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 39' ' ' PHE . 41.7 p -80.37 -36.76 33.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.755 . . . . 0.0 110.362 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -61.75 -56.79 15.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.47 -45.88 69.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.507 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 0.8 OUTLIER -59.28 -47.23 86.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 108.27 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.47 -14.75 54.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 109.219 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.4 ' O ' ' OG ' ' A' ' 55' ' ' SER . 2.1 m80 -103.71 2.07 32.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.612 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 22.4 t80 -98.76 -40.6 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 111.021 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.724 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 1.8 m -67.19 -6.53 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -139.51 50.8 1.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 51' ' ' HIS . 49.2 m -168.54 -48.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.2 mptt -121.67 20.99 10.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.147 . . . . 0.0 109.387 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 0.5 OUTLIER -97.95 -47.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.65 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -52.9 -43.25 93.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.898 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.05 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.904 HG21 ' CG2' ' A' ' 12' ' ' VAL . 16.9 mt -44.99 -60.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.118 . . . . 0.0 109.225 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.921 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.55 -22.04 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.73 ' NE2' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -65.97 -28.94 69.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.405 1.065 . . . . 0.0 109.583 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.028 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -77.17 -54.88 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.316 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.879 HD11 HG12 ' A' ' 13' ' ' VAL . 15.1 mt -57.47 -33.31 67.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CG ' ' OH ' ' A' ' 16' ' ' TYR . 16.2 mt-10 -74.23 -26.4 60.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.76 -47.87 6.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.042 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 157.53 -22.65 0.42 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.474 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.4 m -51.24 156.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.39 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.06 163.04 44.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.697 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -165.55 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.424 ' HB3' HG23 ' A' ' 68' ' ' THR . 23.3 t0 -87.5 14.33 8.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.028 HG22 ' HB3' ' A' ' 63' ' ' GLU . 24.6 t -77.29 -81.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -37.63 -50.71 1.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 108.296 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.428 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 96.3 m -46.72 -50.93 17.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.5 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -53.62 -43.01 68.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.284 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.898 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -91.63 32.86 1.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 40.01 29.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -89.74 -27.08 20.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.225 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.268 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.2 m -115.03 134.39 22.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.172 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.054 -0.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 4.5 m -159.21 82.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.036 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 2' ' ' SER . . . 172.23 107.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 5' ' ' SER . 0.7 OUTLIER 75.65 -58.7 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -32.41 -52.45 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.035 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 51.2 t -60.11 -69.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.5 mt-30 -37.93 -51.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.573 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 7.0 mtt -45.93 -40.7 10.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.637 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -64.11 -39.81 94.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 108.353 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.4 tt0 -68.64 -6.96 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.852 HD23 ' CD2' ' A' ' 31' ' ' PHE . 53.5 tp -93.08 -53.06 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.524 ' CG1' ' CD2' ' A' ' 31' ' ' PHE . 11.2 m -58.56 -42.6 85.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 64' ' ' LEU . 34.1 m -67.0 -59.01 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' N ' HG23 ' A' ' 13' ' ' VAL . 3.8 ttpp -45.1 -31.36 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' SER . 70.6 mmtt -81.49 -40.09 23.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.034 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.22 -67.18 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.59 ' CD ' HD22 ' A' ' 64' ' ' LEU . 16.4 mm-40 -45.73 -38.25 6.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.29 49.79 0.83 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -97.17 -46.77 6.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 0.749 . . . . 0.0 109.985 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.85 1.9 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.244 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -112.11 -12.59 13.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt 43.75 54.65 5.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.558 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.6 m-20 -143.06 114.56 8.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.376 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.52 -9.92 30.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -80.82 -53.25 6.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.558 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -73.57 -9.56 13.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.722 HG21 ' HB2' ' A' ' 16' ' ' TYR . 75.1 mt -89.48 -74.45 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 5.3 ptmt -40.64 -37.78 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 14.5 mtpp -67.87 -52.17 39.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.743 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.51 -51.26 21.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.852 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.9 t80 -43.95 -56.27 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 40.8 t0 -48.63 -32.11 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -59.11 -61.0 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.645 ' HB3' HD11 ' A' ' 11' ' ' LEU . 9.3 tp10 -85.57 21.18 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.286 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.628 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 8.9 t -110.93 -45.38 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 108.295 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.4 OUTLIER -72.91 -55.86 6.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -61.88 -40.73 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.689 HD22 ' CD1' ' A' ' 39' ' ' PHE . 1.9 tt -64.21 -58.56 6.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.379 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.689 ' CD1' HD22 ' A' ' 38' ' ' LEU . 25.1 m-85 -91.16 30.0 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' O ' ' ND1' ' A' ' 40' ' ' HIS . 1.5 t60 -68.74 -6.16 24.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 109.616 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 p -121.82 30.59 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.486 HG22 ' CD1' ' A' ' 44' ' ' PHE . 14.3 mm -113.51 139.3 23.13 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.56 ' HG2' ' CE2' ' A' ' 44' ' ' PHE . 18.6 Cg_endo -74.95 11.48 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.56 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -174.27 36.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.944 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLU . . . -88.77 -85.44 1.25 Allowed Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.557 HG22 ' HA ' ' A' ' 36' ' ' LYS . 44.6 p -35.33 -36.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 0.806 . . . . 0.0 110.407 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 45' ' ' GLY . 14.0 tpt180 -63.74 -54.15 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.315 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 45' ' ' GLY . 1.5 tm-20 -65.25 -29.28 70.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 110.265 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 96.0 m -50.19 -73.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.323 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -20.12 14.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -88.03 5.13 42.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 11.6 t80 -113.2 -48.0 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.5 m -76.99 54.4 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 t30 171.73 41.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 109.335 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 59' ' ' PRO . 6.5 t 169.33 -29.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -114.82 -5.58 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.69 -50.22 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.32 -43.94 72.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.666 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.04 -57.21 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.934 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.706 HG23 HG11 ' A' ' 73' ' ' VAL . 20.9 mt -44.29 -60.6 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.034 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.27 -23.1 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.666 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.44 -29.66 70.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.562 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.989 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -85.13 -46.29 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.37 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.98 HD11 HG12 ' A' ' 13' ' ' VAL . 74.1 mt -55.78 -47.87 76.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -65.03 -37.11 86.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -59.67 -43.57 97.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -18.08 0.95 Allowed Glycine 0 CA--C 1.531 1.06 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.436 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 16.0 m -60.28 159.58 9.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 0.776 . . . . 0.0 110.438 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.889 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.56 177.2 2.06 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.117 . . . . 0.0 109.227 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.01 -18.81 18.4 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.941 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 46.21 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' O ' ' HB ' ' A' ' 75' ' ' THR . 4.9 m-20 -162.25 -38.65 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.989 HG22 ' HB3' ' A' ' 63' ' ' GLU . 41.7 t -41.1 -91.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.6 OUTLIER -38.13 -55.91 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 108.293 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 78' ' ' ASN . 32.7 m -35.24 -83.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 73' ' ' VAL . 2.2 ptmt -51.36 -20.35 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' CG ' ' A' ' 78' ' ' ASN . 2.9 mm? -86.37 16.69 4.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' CG ' ' O ' ' A' ' 77' ' ' LEU . 1.6 p-10 49.35 16.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.3 tm-20 -92.87 -27.05 17.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.585 1.178 . . . . 0.0 110.302 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.61 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -120.75 132.37 24.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 108.322 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.513 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.148 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 0.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.261 -0.274 . . . . 0.0 110.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -89.83 44.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 110.007 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.05 109.91 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.767 HD22 ' HE2' ' A' ' 8' ' ' MET . 0.5 OUTLIER 75.68 -58.06 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -33.72 -55.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 39.0 t -58.6 -68.52 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.84 -52.44 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.767 ' HE2' HD22 ' A' ' 4' ' ' LEU . 7.0 mtt -46.28 -38.6 8.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.945 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.0 OUTLIER -68.73 -36.5 78.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 108.288 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -74.84 -3.84 34.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 110.29 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.869 HD21 ' O ' ' A' ' 31' ' ' PHE . 37.4 tp -94.91 -42.11 8.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.961 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.7 m -70.37 -42.87 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.035 HG12 HD11 ' A' ' 64' ' ' LEU . 35.1 m -65.65 -59.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.633 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -46.45 -28.89 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.1 OUTLIER -82.23 -39.8 22.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.021 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.66 -65.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 13' ' ' VAL . 16.6 mm-40 -46.13 -40.68 11.37 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.42 50.98 0.74 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.542 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.07 -49.13 5.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 0.751 . . . . 0.0 110.039 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 74.02 4.67 4.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -113.3 -12.82 12.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt 46.66 40.74 9.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.533 ' HB3' HG23 ' A' ' 26' ' ' VAL . 4.1 m-20 -127.74 114.55 17.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -71.82 -5.51 34.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -86.2 -51.46 6.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.393 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -76.38 -11.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 29.6 mt -78.74 -62.85 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.402 1.064 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HB2' HG21 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -58.94 -33.0 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 mtpp -64.77 -36.7 85.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 t0 -67.62 -44.13 78.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.869 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -50.84 -47.61 60.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -76.14 -16.1 59.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -70.41 -72.39 0.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.673 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -55.35 -53.1 60.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.9 t -42.43 -52.3 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 108.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.07 -42.52 6.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' GLU . 8.1 ttpp -96.86 -71.93 0.66 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.658 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -38.52 -40.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.658 ' CE1' HD11 ' A' ' 38' ' ' LEU . 5.1 m-30 -117.79 41.75 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.612 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -73.23 -52.5 13.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.565 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.612 HG23 ' CD2' ' A' ' 40' ' ' HIS . 19.9 p -62.9 -27.17 69.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.591 1.182 . . . . 0.0 110.4 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.646 HG23 ' HD2' ' A' ' 43' ' ' PRO . 5.5 mm -47.75 141.26 7.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.646 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 99.29 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.95 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.525 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.9 m-85 74.49 4.83 4.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -52.22 -45.23 57.79 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 p -72.44 -39.68 67.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -58.36 7.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.607 1.192 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.44 -35.62 74.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.5 -57.45 12.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -57.05 -18.69 15.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.377 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.2 4.66 44.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.65 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 24.9 t80 -102.34 -40.38 6.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' VAL . 4.4 m -76.13 57.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 175.35 44.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.619 1.2 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.04 -29.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 110.02 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 0.0 OUTLIER -116.04 -5.75 11.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.6 t -95.71 -50.07 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.644 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -49.74 -43.88 75.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.72 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.02 -56.97 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.961 HG21 ' CG2' ' A' ' 12' ' ' VAL . 14.3 mt -42.1 -59.32 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.021 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -57.48 -24.93 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.72 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.74 -21.34 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.975 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -88.12 -45.69 9.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.035 HD11 HG12 ' A' ' 13' ' ' VAL . 53.0 mt -63.06 -42.6 99.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -64.6 -38.65 91.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.49 -42.44 99.7 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.557 1.161 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.68 -16.32 1.42 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 69' ' ' ALA . 49.0 m -54.32 166.41 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.387 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.871 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -99.27 171.33 5.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.693 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -75.07 -18.61 18.45 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.533 1.807 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.24 44.74 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -163.57 -39.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.975 HG22 ' HB3' ' A' ' 63' ' ' GLU . 10.1 t -34.99 -88.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.83 -62.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 74' ' ' CYS . 51.6 m -37.95 -42.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -52.67 -72.24 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.494 1.121 . . . . 0.0 109.217 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.768 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -61.91 -6.52 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.526 ' CB ' ' O ' ' A' ' 77' ' ' LEU . 4.1 t30 85.05 17.02 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.115 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HB2' ' CB ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -76.71 2.0 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.345 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.736 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -143.59 131.97 11.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.533 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.199 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.082 -0.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ARG . 19.4 t 39.07 48.93 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.963 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -160.75 113.49 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.609 HD12 ' HZ ' ' A' ' 39' ' ' PHE . 3.3 mm? 70.47 -58.5 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 4' ' ' LEU . 70.7 m -28.41 -47.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.499 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 36.3 t -58.36 -72.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 108.328 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.8 OUTLIER -40.81 -48.5 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.609 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 11.6 mtt -46.02 -36.8 5.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.941 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -65.51 -38.38 89.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 108.312 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' A' ' 13' ' ' VAL . 35.3 mt-10 -73.4 -4.84 36.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.519 1.137 . . . . 0.0 110.331 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.035 HD23 ' CD2' ' A' ' 31' ' ' PHE . 50.2 tp -93.66 -49.63 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.971 ' CG2' HG21 ' A' ' 60' ' ' ILE . 10.2 m -65.51 -39.98 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.941 HG13 ' O ' ' A' ' 9' ' ' CYS . 10.6 m -64.05 -59.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.646 ' N ' HG23 ' A' ' 13' ' ' VAL . 6.1 mtpp -46.43 -34.27 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.555 ' O ' ' CB ' ' A' ' 19' ' ' SER . 51.8 mmtt -76.92 -37.62 55.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.98 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -81.27 -74.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CB ' ' HG3' ' A' ' 70' ' ' PRO . 2.3 pp20? -45.09 -26.59 0.47 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.107 . . . . 0.0 110.26 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -123.8 44.24 1.32 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.686 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -94.16 -49.63 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.961 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.95 -6.42 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.58 -23.25 8.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 54.88 67.25 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 26' ' ' VAL . 7.5 t0 -140.81 100.73 3.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.448 1.093 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -54.87 -17.53 3.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.442 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -78.12 -43.24 29.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.483 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.5 t -84.46 -6.83 10.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.822 HG21 ' HB2' ' A' ' 16' ' ' TYR . 65.3 mt -95.74 -58.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 4.1 ptmt -53.15 -40.57 64.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 7.3 mtpp -71.88 -49.46 37.89 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.864 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.5 m-20 -48.32 -46.87 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.035 ' CD2' HD23 ' A' ' 11' ' ' LEU . 3.2 t80 -51.02 -59.04 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.172 . . . . 0.0 111.042 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.503 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.3 t0 -59.23 -23.86 62.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.864 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -52.84 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.749 ' CG ' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -66.86 -41.04 87.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 110.233 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.536 ' HB2' HD21 ' A' ' 11' ' ' LEU . 7.8 t -47.22 -36.13 8.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 108.32 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.6 mtpt -65.11 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.63 -16.5 49.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 34' ' ' GLU . 52.0 mt -83.72 -58.12 2.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.609 ' CE2' ' CE ' ' A' ' 8' ' ' MET . 3.8 m-30 -84.97 13.3 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.94 -64.57 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.599 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.1 p -65.11 -39.89 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 39' ' ' PHE . 3.4 mt -41.52 138.07 1.67 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 108.36 2.7 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 110.98 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.522 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.4 m-85 68.66 5.82 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.489 ' HA3' ' CG2' ' A' ' 42' ' ' ILE . . . -52.23 -64.18 4.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' CYS . 58.6 p -38.83 -51.78 1.73 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.386 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 24.6 mmt85 -45.93 -41.66 11.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' GLY . 5.0 mm-40 -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' THR . 68.1 m -62.62 -42.13 99.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 108.255 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -84.76 -7.51 59.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.367 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -102.1 3.68 38.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.587 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.622 ' OH ' HD11 ' A' ' 60' ' ' ILE . 15.7 t80 -109.51 -48.94 3.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.803 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 2.8 m -76.21 55.91 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 55' ' ' SER . 58.7 t30 -169.32 35.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.606 1.191 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 160.01 -26.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.663 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mmtt -102.99 -6.54 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -92.77 -44.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.272 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.5 OUTLIER -52.25 -45.36 94.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.05 -56.96 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.786 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.971 HG21 ' CG2' ' A' ' 12' ' ' VAL . 51.4 mt -43.84 -58.06 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.98 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.3 mt -55.59 -26.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.597 ' CD2' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -70.09 -32.32 70.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.923 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -67.71 -29.95 69.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.854 HD11 HG12 ' A' ' 13' ' ' VAL . 1.7 mt -92.2 -20.86 20.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.83 -46.06 81.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.76 103.16 0.16 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.9 -29.65 1.83 Allowed Glycine 0 CA--C 1.529 0.94 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.551 HG21 ' HA ' ' A' ' 73' ' ' VAL . 33.0 m -141.47 173.44 11.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.348 0.675 . . . . 0.0 110.371 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -123.27 174.71 3.26 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.776 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -75.01 68.22 5.8 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.417 1.746 . . . . 0.0 111.038 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.9 -38.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' HB3' HG23 ' A' ' 68' ' ' THR . 2.0 t70 -110.63 14.65 22.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 69' ' ' ALA . 3.7 t -61.21 -86.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.709 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -36.95 -50.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 108.311 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.523 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 19.8 m -45.66 -51.49 12.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 110.474 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.4 tttt -41.54 -56.69 2.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 ' OE1' ' A' ' 63' ' ' GLU . 0.3 OUTLIER -89.17 39.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 75' ' ' THR . 3.6 m-80 38.84 29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.393 1.058 . . . . 0.0 109.239 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.569 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.5 tm-20 -83.75 -25.19 30.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.523 ' HB2' ' N ' ' A' ' 75' ' ' THR . 0.8 OUTLIER -116.37 131.29 23.9 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 108.287 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.499 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.151 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.975 -0.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 p -161.91 121.79 2.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.05 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -48.81 -24.99 1.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . 1.8 mm? -61.12 -45.48 94.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' LEU . 10.6 m -38.38 -41.56 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 10.8 t -54.4 -68.31 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 108.346 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 10' ' ' GLU . 2.2 tm0? -56.98 -51.5 68.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.57 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 24.8 mtt -45.25 -36.28 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.566 1.166 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -65.97 -40.25 91.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -68.02 -7.52 29.78 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.426 1.079 . . . . 0.0 110.32 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD23 ' CD2' ' A' ' 31' ' ' PHE . 51.6 tp -93.49 -47.54 6.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.816 ' CG2' HG21 ' A' ' 60' ' ' ILE . 5.4 m -64.39 -42.21 94.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.156 HG12 HD11 ' A' ' 64' ' ' LEU . 33.6 m -64.97 -58.89 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.619 ' N ' HG23 ' A' ' 13' ' ' VAL . 2.0 ttpp -46.26 -31.07 2.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.493 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 4.6 mmtm -80.35 -41.16 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.168 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -77.26 -69.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.683 ' HG2' HD13 ' A' ' 64' ' ' LEU . 8.8 mm-40 -42.03 -40.79 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.78 44.9 1.41 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.635 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 1.2 t -90.38 -47.73 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.9 -2.17 2.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.406 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -118.09 -23.88 7.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.249 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.479 ' HE2' ' CA ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER 54.84 65.07 1.6 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.1 m-20 -144.34 110.14 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.23 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.71 -14.67 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -77.24 -58.25 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.573 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.8 t -70.5 -12.04 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' HB2' ' A' ' 16' ' ' TYR . 74.9 mt -89.85 -71.64 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' CB ' HG11 ' A' ' 57' ' ' VAL . 4.1 ptpp? -39.73 -40.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 12.6 mtpp -70.45 -47.94 58.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.216 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.839 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -47.61 -49.99 25.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 1.033 ' CD2' HD23 ' A' ' 11' ' ' LEU . 6.0 t80 -48.56 -59.88 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 6.9 t0 -54.89 -20.18 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.839 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -72.21 -73.13 0.2 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.776 ' HB3' HD11 ' A' ' 11' ' ' LEU . 7.2 tp10 -52.94 -25.89 13.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.442 1.089 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -74.12 -48.67 27.97 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 0.0 108.31 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' HIS . 5.9 mmtp -45.47 -25.3 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 35' ' ' CYS . 1.9 mttt -106.12 -48.58 3.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' GLU . 25.9 tp -59.17 -59.84 4.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' CYS . 19.3 m-85 -90.09 37.64 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 36' ' ' LYS . 14.1 t60 -73.41 -52.91 12.06 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.497 1.123 . . . . 0.0 109.634 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -55.6 -27.79 51.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 45' ' ' GLY . 21.4 mm -71.14 130.59 87.85 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -38.08 1.77 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.429 1.752 . . . . 0.0 111.064 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CE1' ' CG2' ' A' ' 42' ' ' ILE . 1.5 p90 -101.92 0.32 35.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -61.13 -84.04 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.49 1.119 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 45' ' ' GLY . 81.6 p -37.94 -34.47 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 0.75 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -66.66 -61.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.395 1.059 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -26.77 47.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.7 m -62.37 -55.6 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 108.322 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -61.24 -14.35 25.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -102.41 1.04 34.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.637 1.211 . . . . 0.0 109.633 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 17.6 t80 -104.83 -43.36 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.384 1.052 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.5 m -79.03 55.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -179.49 38.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.087 . . . . 0.0 109.333 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 171.97 -35.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.8 mptt -108.45 1.43 21.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.236 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -98.57 -21.94 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.655 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.6 OUTLIER -79.47 -43.36 1.61 Allowed Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.825 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.98 -49.85 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.816 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.9 mt -48.53 -48.76 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.168 HG23 ' CE2' ' A' ' 16' ' ' TYR . 53.1 mt -70.2 -16.81 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.772 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -75.5 -18.2 59.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.618 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.972 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.8 OUTLIER -91.65 -45.79 8.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.296 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.156 HD11 HG12 ' A' ' 13' ' ' VAL . 11.6 mt -65.82 -35.63 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.11 -35.03 59.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.436 1.085 . . . . 0.0 110.283 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.8 -47.69 59.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.23 -23.91 0.38 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 63' ' ' GLU . 8.3 m -57.19 147.52 24.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 110.366 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.39 167.67 20.25 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.596 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.6 Cg_endo -74.94 2.7 6.31 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.498 1.789 . . . . 0.0 111.085 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 ptpp? -109.31 27.92 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 73' ' ' VAL . 15.8 t0 -153.71 -43.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.433 1.083 . . . . 0.0 109.309 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.972 HG22 ' HB3' ' A' ' 63' ' ' GLU . 59.7 t -35.84 -48.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.557 ' C ' ' OG1' ' A' ' 75' ' ' THR . 1.4 m -71.85 46.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.557 ' OG1' ' C ' ' A' ' 74' ' ' CYS . 0.4 OUTLIER -162.27 -46.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.07 -37.61 69.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -91.84 21.51 4.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.1 t30 58.36 23.46 10.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 74' ' ' CYS . 5.9 mm-40 -62.95 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' CYS . 4.1 t -90.69 132.61 34.47 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.365 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.159 0 C-N-CA 120.988 -2.505 . . . . 0.0 110.944 0.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ptt180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.689 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 11.4 p -134.72 177.53 7.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.462 1.101 . . . . 0.0 109.963 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.689 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 83.12 -70.52 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD21 ' CE2' ' A' ' 39' ' ' PHE . 6.9 mt -97.01 -83.28 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.39 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 8' ' ' MET . 38.1 t 64.79 -74.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.988 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 4' ' ' LEU . 11.9 t -59.38 -68.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 108.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -39.34 -47.71 1.78 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.571 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 4.0 mmt -47.54 -43.48 25.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.822 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 1.8 p -61.07 -31.95 71.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.367 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.0 OUTLIER -80.65 -4.92 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.34 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 31' ' ' PHE . 45.1 tp -93.59 -42.74 9.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.746 HG11 HG23 ' A' ' 57' ' ' VAL . 10.9 m -71.15 -45.96 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.382 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.004 HG12 ' CD1' ' A' ' 64' ' ' LEU . 33.2 m -61.69 -59.74 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.635 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.06 -30.98 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 19' ' ' SER . 46.3 mmtt -79.3 -41.14 28.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.665 ' HB2' HG21 ' A' ' 27' ' ' ILE . 4.5 t80 -75.71 -68.58 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' VAL . 12.0 mm-40 -41.28 -40.21 1.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.61 46.34 1.15 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.67 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.48 -53.93 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 0.796 . . . . 0.0 110.05 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 82.33 -4.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -110.77 -13.83 14.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt 47.51 62.6 2.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.261 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' HB3' HG23 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -151.79 118.15 5.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.54 ' HB1' HD12 ' A' ' 61' ' ' ILE . . . -72.94 -2.27 20.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 0.9 OUTLIER -85.95 -48.69 8.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.5 t -77.75 -22.54 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.665 HG21 ' HB2' ' A' ' 16' ' ' TYR . 59.2 mt -70.87 -62.44 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.507 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -54.91 -44.5 74.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 17.4 mtpp -57.47 -48.78 78.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' HB3' ' CE ' ' A' ' 15' ' ' LYS . 12.9 m-20 -53.98 -54.0 45.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.731 ' O ' HD21 ' A' ' 11' ' ' LEU . 0.8 OUTLIER -44.58 -41.61 6.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HB2' HG11 ' A' ' 53' ' ' VAL . 5.8 t0 -68.04 -44.59 76.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.1 -62.36 1.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' A' ' 35' ' ' CYS . 5.0 tp10 -58.51 -63.09 1.4 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.935 ' HA ' HD23 ' A' ' 38' ' ' LEU . 45.5 t -35.72 -43.23 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 108.288 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' HIS . 4.0 tptt -52.44 -79.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -53.98 15.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.242 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.935 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.1 OUTLIER -43.03 -48.77 6.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CE2' HD21 ' A' ' 4' ' ' LEU . 1.4 m-30 -124.73 55.47 1.34 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LYS . 1.4 t60 -68.6 -42.22 78.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 t -72.56 -46.53 53.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 110.383 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 45' ' ' GLY . 14.7 mm -45.21 138.47 4.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.03 -84.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.573 1.828 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.8 p90 -51.91 -16.68 0.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 111.076 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.672 ' H ' HG22 ' A' ' 42' ' ' ILE . . . -57.34 -74.25 0.36 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.482 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 71.3 p -49.14 -34.75 14.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 110.409 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 19.2 mmt85 -65.43 -58.17 6.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.17 . . . . 0.0 110.262 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 1.0 OUTLIER -61.41 -25.93 67.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 110.306 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 45' ' ' GLY . 98.5 m -53.83 -57.69 9.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 108.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.08 -2.69 41.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 1.046 . . . . 0.0 109.346 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.4 t-80 -103.99 11.11 35.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.64 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.713 ' CD2' ' CE2' ' A' ' 31' ' ' PHE . 18.6 t80 -119.12 -55.8 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG11 ' HB2' ' A' ' 32' ' ' ASP . 4.4 m -39.58 -29.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 52' ' ' TYR . 2.5 t30 -132.39 61.73 1.66 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' ' 51' ' ' HIS . 15.4 m -168.93 -43.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.932 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.552 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -124.07 9.37 8.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 109.373 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.746 HG23 HG11 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -95.23 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.634 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -43.62 -44.62 15.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.636 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.2 Cg_endo -75.06 -57.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.396 1.735 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.818 HG23 HG11 ' A' ' 73' ' ' VAL . 15.5 mt -43.64 -63.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.54 HD12 ' HB1' ' A' ' 24' ' ' ALA . 2.6 mt -52.13 -25.96 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.18 -29.73 70.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.569 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.012 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -84.68 -41.28 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.286 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.004 ' CD1' HG12 ' A' ' 13' ' ' VAL . 10.5 mt -62.65 -42.17 99.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -64.85 -37.13 86.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.36 -40.56 97.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.24 -12.61 2.07 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 HG23 ' A' ' 73' ' ' VAL . 10.5 m -58.86 164.47 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 0.777 . . . . 0.0 110.391 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.75 ' HB1' ' HD2' ' A' ' 70' ' ' PRO . . . -95.46 174.28 3.64 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.75 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -18.84 18.45 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.057 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -107.47 45.66 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' VAL . 41.8 m-20 -162.75 -44.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.012 HG22 ' HB3' ' A' ' 63' ' ' GLU . 3.0 t -36.91 -81.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.442 1.089 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -35.34 -57.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 78' ' ' ASN . 0.6 OUTLIER -42.45 -50.83 5.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 110.388 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 73' ' ' VAL . 3.3 tttp -40.4 -59.08 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.724 HD21 ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -90.22 38.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 75' ' ' THR . 2.2 m-80 41.24 28.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.537 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -82.52 -7.74 59.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.962 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.6 OUTLIER -137.84 81.22 28.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 108.302 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 80' ' ' CYS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.946 0.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -174.39 63.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 4' ' ' LEU . . . -166.35 114.48 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.363 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.681 HD23 ' HE2' ' A' ' 8' ' ' MET . 2.1 mp 72.17 -54.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 4' ' ' LEU . 56.6 m -36.02 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.966 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 43.7 t -64.94 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 0.0 108.352 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' LEU . 6.7 pm0 -46.21 -37.68 7.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.597 1.186 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.681 ' HE2' HD23 ' A' ' 4' ' ' LEU . 15.1 mtt -54.72 -34.58 62.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -67.9 -39.11 83.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 108.264 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.512 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 36.8 tt0 -68.89 -7.23 32.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.253 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.684 HD21 ' O ' ' A' ' 31' ' ' PHE . 31.0 tp -91.77 -50.26 5.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' CG2' HG21 ' A' ' 60' ' ' ILE . 14.1 m -61.18 -44.78 99.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.026 HG12 HD11 ' A' ' 64' ' ' LEU . 35.5 m -63.89 -59.5 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.622 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -44.7 -32.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.236 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' SER . 31.0 mmtt -79.99 -40.38 28.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.158 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.0 -69.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.773 ' HG2' HD13 ' A' ' 64' ' ' LEU . 11.8 mm-40 -42.18 -40.38 2.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 110.328 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.04 52.96 0.64 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -100.9 -36.68 8.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 0.795 . . . . 0.0 109.96 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 65.69 10.16 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.4 OUTLIER -123.84 -12.33 7.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 39.91 64.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.8 OUTLIER -149.66 107.68 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.09 -15.27 5.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -75.69 -59.41 2.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.345 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.58 HG23 ' HB3' ' A' ' 23' ' ' ASP . 1.9 t -68.44 -10.84 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.807 HG21 ' HB2' ' A' ' 16' ' ' TYR . 77.6 mt -90.09 -72.72 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -38.99 -37.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -68.06 -56.09 10.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.251 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.792 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -42.24 -53.73 3.98 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.796 ' CD1' ' CG1' ' A' ' 53' ' ' VAL . 2.9 t80 -43.62 -59.09 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 22.6 t70 -49.3 -28.66 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -63.7 -58.53 6.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.589 ' HB3' HD11 ' A' ' 11' ' ' LEU . 18.3 tp10 -88.64 24.16 2.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.621 ' SG ' ' CZ ' ' A' ' 31' ' ' PHE . 6.1 t -118.85 -51.65 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 108.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.58 ' HA ' HG22 ' A' ' 46' ' ' THR . 0.9 OUTLIER -69.12 -48.96 61.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.01 -38.72 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.585 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -63.88 -56.27 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 35' ' ' CYS . 46.1 m-85 -89.87 25.91 1.95 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -48.17 -54.9 11.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.58 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.517 HG23 ' CD2' ' A' ' 40' ' ' HIS . 56.4 p -91.96 56.46 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.377 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.803 HG23 ' HD2' ' A' ' 43' ' ' PRO . 10.2 mm -135.13 144.31 49.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.803 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.6 Cg_endo -74.96 102.56 1.6 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.621 ' HB3' ' O ' ' A' ' 43' ' ' PRO . 29.9 t80 74.27 -1.82 2.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -48.35 -45.74 28.48 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.413 1.071 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.58 HG22 ' HA ' ' A' ' 36' ' ' LYS . 74.6 p -74.77 -32.93 62.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.613 ' HD3' ' CD2' ' A' ' 44' ' ' PHE . 0.0 OUTLIER -61.52 -38.53 87.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.75 -35.33 70.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 46' ' ' THR . 86.3 m -49.44 -66.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 108.282 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -55.6 -26.91 46.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -86.76 8.76 21.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 6.3 t80 -114.35 -53.58 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.828 HG23 ' O ' ' A' ' 53' ' ' VAL . 1.7 m -73.14 57.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' SER . 5.0 t-20 176.41 39.93 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.31 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.4 OUTLIER 163.55 -28.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.938 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.6 mmpt? -110.22 -2.72 16.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 61' ' ' ILE . 1.2 t -97.89 -21.25 5.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.645 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -79.43 -43.77 1.63 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.3 Cg_endo -74.97 -51.95 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.821 HG23 HG11 ' A' ' 73' ' ' VAL . 39.5 mt -47.61 -52.78 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.158 HG23 ' CE2' ' A' ' 16' ' ' TYR . 58.1 mt -64.25 -21.73 29.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.632 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -73.57 -21.62 60.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 0.0 109.609 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.058 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -82.59 -45.03 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.026 HD11 HG12 ' A' ' 13' ' ' VAL . 8.1 mt -68.94 -43.42 75.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' CD ' ' C ' ' A' ' 65' ' ' GLU . 1.6 pp20? -60.05 -36.61 77.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.01 -74.54 0.65 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 176.76 36.91 0.05 OUTLIER Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.2 m -112.51 163.41 14.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 0.72 . . . . 0.0 110.389 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -93.16 169.51 10.24 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.633 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.99 -38.81 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.751 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -88.02 43.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.551 ' O ' ' C ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -163.46 -42.43 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.072 . . . . 0.0 109.359 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.058 HG22 ' HB3' ' A' ' 63' ' ' GLU . 4.2 t -28.28 -81.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.61 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.5 OUTLIER -34.72 -55.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.9 m -46.36 -48.11 18.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.383 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.083 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD11 ' OE1' ' A' ' 63' ' ' GLU . 1.3 mt -88.53 36.29 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 75' ' ' THR . 16.4 m120 44.35 24.54 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.35 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.511 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.4 tm-20 -76.55 -24.16 53.59 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.593 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -119.54 123.53 28.58 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 108.325 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.527 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 C-N-CA 120.944 -2.523 . . . . 0.0 110.978 -0.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.672 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 84.9 p -93.17 98.1 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 4' ' ' LEU . . . 163.29 -47.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 3' ' ' ALA . 4.1 mm? -130.97 -57.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.246 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -31.17 -53.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.948 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 9' ' ' CYS . 35.5 t -56.46 -65.2 0.65 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 13.5 tt0 -39.9 -50.03 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.574 ' CB ' ' CE2' ' A' ' 52' ' ' TYR . 5.6 mtt -48.3 -37.61 16.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.805 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -62.79 -30.9 71.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 108.336 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -79.86 -10.35 59.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.033 HD11 ' HG3' ' A' ' 34' ' ' GLU . 14.8 tp -89.93 -42.43 11.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.686 ' CG2' HG21 ' A' ' 60' ' ' ILE . 11.5 m -67.79 -43.78 86.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.95 HG12 ' CD1' ' A' ' 64' ' ' LEU . 27.4 m -59.35 -58.52 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.616 ' N ' HG23 ' A' ' 13' ' ' VAL . 1.1 ttpp -47.69 -28.43 2.42 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -79.37 -41.61 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.894 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -78.81 -67.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' VAL . 7.9 mm-40 -43.32 -39.02 2.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -116.17 48.1 0.97 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.589 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -96.79 -52.02 4.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.78 . . . . 0.0 110.011 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.97 1.23 3.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -111.99 -15.06 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 48.04 43.29 17.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 5.9 t0 -124.74 115.67 21.1 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.43 -6.35 42.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 4.6 t-20 -87.46 -53.75 4.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' ASP . 2.0 t -73.98 -10.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 16' ' ' TYR . 35.0 mt -84.05 -71.86 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' CB ' HG11 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -45.19 -36.32 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 10.9 mtpp -67.71 -40.56 84.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.691 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 5.8 t0 -62.14 -47.08 86.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.843 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.2 t80 -44.45 -51.18 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.079 . . . . 0.0 111.052 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.418 ' N ' ' CD1' ' A' ' 31' ' ' PHE . 26.7 t0 -66.46 -29.71 69.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.123 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.691 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.52 -77.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 1.033 ' HG3' HD11 ' A' ' 11' ' ' LEU . 4.3 pt-20 -50.12 -40.4 45.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.65 ' HA ' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -49.88 -55.8 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' HZ2' ' HB ' ' A' ' 46' ' ' THR . 27.9 mmtm -54.14 -15.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.406 1.066 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLU . 0.1 OUTLIER -96.5 -70.4 0.72 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD23 ' HA ' ' A' ' 35' ' ' CYS . 0.2 OUTLIER -68.8 -49.55 57.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.228 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.58 ' N ' ' O ' ' A' ' 35' ' ' CYS . 12.2 m-85 -84.34 32.09 0.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -88.85 -57.73 2.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.615 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.58 ' N ' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -60.88 -13.87 18.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 43' ' ' PRO . 30.7 mm -73.86 141.7 79.01 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.01 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.473 1.775 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 0.8 OUTLIER 77.79 -3.64 2.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.068 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.66 -30.2 4.55 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.519 ' HB ' ' HZ2' ' A' ' 36' ' ' LYS . 24.3 p -84.76 -47.73 10.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 0.771 . . . . 0.0 110.364 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 6.2 mmm180 -49.61 -50.1 44.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.307 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -43.63 92.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.285 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.9 m -49.16 -62.15 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 108.275 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.78 -26.8 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -93.15 11.66 27.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.617 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.574 ' CE2' ' CB ' ' A' ' 8' ' ' MET . 20.7 t80 -112.94 -46.8 3.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 111.012 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.7 m -73.21 56.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.9 t30 175.6 43.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.5 OUTLIER 165.56 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' CB ' ' CE1' ' A' ' 52' ' ' TYR . 7.6 mmtt -111.72 -8.06 14.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -94.92 -47.81 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.631 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.7 OUTLIER -49.29 -44.88 75.57 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 58' ' ' ASP . 18.2 Cg_endo -75.07 -56.03 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.464 1.77 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.686 HG21 ' CG2' ' A' ' 12' ' ' VAL . 19.3 mt -44.82 -60.77 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.894 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -56.87 -24.32 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -67.29 -29.88 69.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.558 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.005 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -89.68 -37.32 14.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.95 ' CD1' HG12 ' A' ' 13' ' ' VAL . 47.2 mt -65.82 -40.72 92.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.79 -29.37 50.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -50.12 63.83 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 160.4 -24.91 0.28 Allowed Glycine 0 CA--C 1.531 1.074 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 63' ' ' GLU . 22.6 m -51.34 163.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.586 0.815 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.619 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -96.81 163.34 20.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.2 Cg_endo -74.98 66.7 5.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.769 . . . . 0.0 110.954 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.84 -37.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 29.2 t0 -93.74 -2.56 53.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.005 HG22 ' HB3' ' A' ' 63' ' ' GLU . 9.0 t -68.3 -84.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.418 1.073 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.5 OUTLIER -33.23 -54.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.504 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 21.1 m -46.37 -56.58 5.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 0.0 110.348 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.577 ' C ' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -44.46 -50.12 9.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.957 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -88.93 35.81 0.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.353 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 75' ' ' THR . 0.8 OUTLIER 38.23 30.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.2 tm-20 -93.41 -10.62 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.089 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -134.77 84.63 38.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' C ' ' C ' ' A' ' 79' ' ' GLU . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.099 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.983 -0.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.82 179.56 2.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.52 74.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 5' ' ' SER . 4.5 mm? -58.86 -66.98 0.41 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.494 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -31.84 -49.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.007 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -57.42 -72.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.26 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -40.56 -49.49 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.626 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 14.1 mtt -46.55 -34.29 4.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 110.959 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.566 ' O ' HG22 ' A' ' 13' ' ' VAL . 12.5 t -66.47 -44.53 82.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.306 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.508 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.3 mt-10 -63.44 -9.19 11.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.918 HD23 ' CD2' ' A' ' 31' ' ' PHE . 65.0 tp -92.43 -51.08 5.31 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.683 ' CG2' HG21 ' A' ' 60' ' ' ILE . 8.3 m -62.93 -44.07 99.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.974 HG12 HD11 ' A' ' 64' ' ' LEU . 20.8 m -62.24 -58.32 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 7.0 tttp -47.03 -28.51 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 67.8 mmtt -82.45 -41.25 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.003 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -75.35 -66.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 13' ' ' VAL . 53.8 mm-40 -48.2 -35.04 11.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 110.311 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.92 42.05 1.91 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.582 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -85.78 -51.59 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.957 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 76.5 1.39 3.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -115.41 -10.88 11.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt 43.93 68.89 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -159.97 112.88 2.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -63.02 -11.72 21.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 -52.36 9.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.1 t -73.99 -8.92 12.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.66 HG21 ' HB2' ' A' ' 16' ' ' TYR . 73.3 mt -89.3 -76.28 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.53 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.8 ptmt -40.01 -37.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.475 ' N ' ' HG2' ' A' ' 28' ' ' LYS . 16.9 mtpp -67.11 -56.65 9.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HB3' ' CD ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER -44.84 -53.46 7.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.918 ' CD2' HD23 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -43.12 -47.62 6.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -67.78 -40.5 83.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' LYS . . . -55.16 -46.97 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.557 ' HB3' HD11 ' A' ' 11' ' ' LEU . 3.0 tp10 -69.83 -66.41 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.259 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' HA ' HD23 ' A' ' 38' ' ' LEU . 42.7 t -40.12 -32.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 108.326 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 34' ' ' GLU . 2.2 mmtp -56.61 -66.63 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 1.154 . . . . 0.0 109.276 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' CD ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -73.27 -46.85 47.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD11 ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -52.85 -52.39 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.647 ' CE1' HD11 ' A' ' 38' ' ' LEU . 4.4 m-30 -117.04 57.44 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.578 ' C ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -80.45 -51.57 8.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.586 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -59.17 -15.67 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG13 ' CG ' ' A' ' 39' ' ' PHE . 14.5 mm -65.92 141.16 97.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.56 1.162 . . . . 0.0 109.351 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.54 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 -57.73 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.545 1.813 . . . . 0.0 111.048 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.454 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 2.1 p90 -110.34 39.15 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.436 ' O ' ' HB2' ' A' ' 49' ' ' CYS . . . -95.36 -53.4 1.59 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.523 1.139 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.9 p -70.96 -35.8 72.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 110.417 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -53.6 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -66.39 -33.95 76.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 45' ' ' GLY . 2.1 m -65.22 -46.45 80.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 108.365 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -64.65 -17.47 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -105.65 5.44 31.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.565 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.626 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 56.7 t80 -103.72 -34.07 8.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.653 ' CG1' ' CD1' ' A' ' 31' ' ' PHE . 14.3 m -64.11 -11.3 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -138.09 57.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.2 -43.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 0.0 OUTLIER -119.01 8.25 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -95.57 -49.21 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -49.79 -43.92 75.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.719 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.1 Cg_endo -75.01 -55.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.683 HG21 ' CG2' ' A' ' 12' ' ' VAL . 15.1 mt -44.62 -59.5 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.003 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -58.99 -21.35 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.719 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -65.9 -24.84 66.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.555 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.782 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.9 OUTLIER -92.45 -46.07 7.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.974 HD11 HG12 ' A' ' 13' ' ' VAL . 85.0 mt -54.36 -45.2 72.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 1.9 pp20? -71.24 -37.35 71.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.56 -41.78 89.51 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 148.86 -19.0 1.25 Allowed Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.487 ' CB ' ' OE1' ' A' ' 63' ' ' GLU . 20.0 m -61.16 151.12 32.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 110.391 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.836 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -87.76 173.71 6.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.737 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.3 Cg_endo -74.98 -19.92 17.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.413 1.744 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.05 18.71 8.8 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 109.214 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HB3' ' CG2' ' A' ' 68' ' ' THR . 8.2 m-20 -129.89 -57.25 1.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.086 HG13 HD23 ' A' ' 77' ' ' LEU . 21.3 t -38.58 -53.07 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.523 ' O ' ' OG1' ' A' ' 75' ' ' THR . 1.5 m -75.02 65.91 1.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 108.331 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' N ' ' A' ' 76' ' ' LYS . 1.0 OUTLIER 168.59 -84.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' N ' HG22 ' A' ' 75' ' ' THR . 0.0 OUTLIER -54.29 -17.77 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.086 HD23 HG13 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -85.3 14.82 4.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.127 . . . . 0.0 109.242 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 75' ' ' THR . 1.0 OUTLIER 66.16 14.79 9.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 77' ' ' LEU . 16.4 mm-40 -83.7 -62.35 1.6 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 0.4 OUTLIER -98.72 139.33 21.01 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 108.305 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.161 0 C-N-CA 121.007 -2.497 . . . . 0.0 110.988 -0.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.6 ttp180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.529 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 44.5 t 179.14 145.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.053 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 2' ' ' SER . . . 72.74 -64.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD12 ' CE1' ' A' ' 39' ' ' PHE . 2.1 mm? -72.53 -64.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -32.68 -70.26 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.078 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 13.4 t -40.95 -58.41 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 108.354 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -51.72 -53.56 37.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.658 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 17.8 mtt -45.68 -43.75 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.608 ' O ' HG22 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -58.56 -33.75 70.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.283 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.517 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 2.1 mt-10 -76.67 -6.75 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.327 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD21 ' O ' ' A' ' 31' ' ' PHE . 27.9 tp -92.97 -44.17 8.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.919 ' CG2' HG21 ' A' ' 60' ' ' ILE . 7.3 m -67.76 -43.79 86.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.055 HG12 HD11 ' A' ' 64' ' ' LEU . 33.7 m -65.82 -58.8 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.618 ' N ' HG23 ' A' ' 13' ' ' VAL . 4.7 ttpt -46.73 -33.56 4.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' LEU . 59.8 mmtt -78.97 -39.54 34.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.093 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -76.59 -69.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.044 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 13' ' ' VAL . 10.4 mm-40 -41.41 -38.86 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -111.8 41.46 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.665 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 7.5 t -85.39 -56.97 3.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 109.976 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 81.39 -4.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -111.8 -15.86 13.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 48.56 68.72 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.629 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.4 OUTLIER -154.48 110.33 3.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.339 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.42 -11.78 25.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 3.0 t-20 -80.95 -41.63 22.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 ' HB3' ' A' ' 23' ' ' ASP . 3.2 t -83.13 -11.08 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.729 HG21 ' HB2' ' A' ' 16' ' ' TYR . 72.2 mt -89.7 -66.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.692 ' CB ' HG11 ' A' ' 57' ' ' VAL . 6.4 ptpp? -46.39 -42.91 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 12.4 mtpp -67.13 -44.76 79.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -52.31 -50.91 61.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.645 ' O ' HD21 ' A' ' 11' ' ' LEU . 1.0 OUTLIER -50.74 -41.79 56.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -62.8 -35.3 79.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -54.71 -72.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.8 tp10 -58.55 -51.29 70.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' HB2' ' CD2' ' A' ' 11' ' ' LEU . 51.4 t -39.55 -59.66 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.251 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.45 -57.1 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -68.64 -67.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 ' CD2' ' CE2' ' A' ' 39' ' ' PHE . 3.6 tp -36.27 -34.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.674 ' CE1' HD12 ' A' ' 4' ' ' LEU . 38.2 m-85 -125.97 49.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -80.02 -36.4 35.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.5 p -78.08 -19.76 53.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 43' ' ' PRO . 11.0 mm -62.56 141.84 96.71 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.404 1.065 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.3 Cg_endo -75.02 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.395 1.734 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.544 ' CE2' ' HG2' ' A' ' 43' ' ' PRO . 4.2 p90 -112.99 23.44 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.61 ' N ' HG22 ' A' ' 42' ' ' ILE . . . -73.07 -73.21 0.89 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 46' ' ' THR . 72.4 p -45.3 -36.7 4.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 ' O ' ' HB2' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -63.68 -50.22 70.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 52' ' ' TYR . 1.3 mm-40 -66.93 -19.04 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.235 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' THR . 84.7 m -67.02 -42.0 85.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.91 0.75 56.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' ARG . 1.5 m-70 -114.87 8.89 16.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CE2' ' HB3' ' A' ' 8' ' ' MET . 60.7 t80 -122.57 -48.69 2.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 53' ' ' VAL . 3.1 m -74.17 55.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 178.0 38.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 174.82 -34.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 1.1 mmtp -110.75 -2.0 16.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.224 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.692 HG11 ' CB ' ' A' ' 28' ' ' LYS . 1.9 t -97.33 -37.63 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.684 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -61.12 -41.5 81.23 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 109.36 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.821 ' HB2' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 -53.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.555 1.818 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.919 HG21 ' CG2' ' A' ' 12' ' ' VAL . 8.1 mt -45.0 -56.91 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.093 HG23 ' CE2' ' A' ' 16' ' ' TYR . 16.3 mt -59.7 -23.26 25.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.605 1.191 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.702 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -66.64 -22.53 66.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.616 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.01 ' HB3' HG22 ' A' ' 73' ' ' VAL . 1.3 mm-40 -86.52 -50.7 6.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.055 HD11 HG12 ' A' ' 13' ' ' VAL . 24.7 mt -58.57 -37.89 76.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.27 -34.78 68.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.92 -43.95 70.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.9 -17.12 1.39 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.695 HG21 ' OE2' ' A' ' 63' ' ' GLU . 3.0 m -58.42 152.14 18.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.757 . . . . 0.0 110.363 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.93 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -86.28 164.31 38.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.419 1.074 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -75.06 -3.71 14.33 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.529 1.804 . . . . 0.0 110.937 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 mtmt -107.17 34.81 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' O ' ' C ' ' A' ' 73' ' ' VAL . 3.0 t0 -164.37 -40.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.01 HG22 ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -27.18 -84.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER -33.03 -53.57 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 108.312 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' ASN . 1.7 m -46.25 -56.72 5.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.39 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.527 ' CD ' ' OE2' ' A' ' 63' ' ' GLU . 0.4 OUTLIER -45.51 -44.11 12.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' HB2' ' A' ' 59' ' ' PRO . 0.8 OUTLIER -90.04 32.83 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 75' ' ' THR . 12.2 t30 40.87 28.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 1.181 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.0 OUTLIER -85.29 -49.63 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.746 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.7 OUTLIER -90.31 130.86 40.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.266 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.507 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.6 Cg_endo . . . . . 0 C--N 1.36 1.14 0 C-N-CA 121.054 -2.478 . . . . 0.0 111.026 -0.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.461 ' CB ' ' O ' ' A' ' 1' ' ' ARG . 0.3 OUTLIER 162.9 174.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 109.983 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.51 -49.48 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.356 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.758 HD13 ' HE2' ' A' ' 39' ' ' PHE . 1.4 pp -128.72 60.86 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -89.84 -24.39 21.42 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 35.8 t -58.38 -70.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.349 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -33.8 -50.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.619 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 16.5 mtt -45.34 -48.65 13.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.676 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.1 OUTLIER -53.69 -33.71 56.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 108.267 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.518 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 1.6 tt0 -79.18 -6.39 56.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' A' ' 34' ' ' GLU . 57.3 tp -92.6 -39.96 11.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.239 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.3 m -72.38 -48.84 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 1.03 ' CG1' HD11 ' A' ' 64' ' ' LEU . 35.8 m -59.96 -60.32 2.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.632 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -45.42 -31.44 1.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' CD ' ' HB3' ' A' ' 30' ' ' ASP . 16.2 mmtt -78.21 -42.28 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.889 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.9 OUTLIER -74.23 -65.65 0.82 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' VAL . 9.1 mm-40 -44.08 -33.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.237 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.75 37.05 3.04 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.625 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -83.09 -44.19 15.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.971 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 79.29 -4.51 2.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.9 OUTLIER -118.6 -10.4 10.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.254 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ASP . 0.3 OUTLIER 38.5 56.08 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.352 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.894 ' HB3' HG23 ' A' ' 26' ' ' VAL . 0.1 OUTLIER -130.34 107.77 9.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.485 ' HA ' HG12 ' A' ' 27' ' ' ILE . . . -49.7 -18.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.458 ' N ' ' C ' ' A' ' 23' ' ' ASP . 4.2 m-80 -79.01 -31.95 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.894 HG23 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -86.43 -4.44 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 16' ' ' TYR . 3.2 mm -91.88 -59.12 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB3' HG11 ' A' ' 57' ' ' VAL . 3.6 ptpp? -58.25 -39.56 79.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.328 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 20.6 mtpp -68.42 -63.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.77 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 47.7 m-20 -41.71 -56.22 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.842 ' CD2' HD23 ' A' ' 11' ' ' LEU . 13.2 t80 -39.06 -60.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.585 1.178 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' LYS . 16.8 t70 -52.54 -33.74 46.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.77 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -56.78 -62.59 1.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' A' ' 11' ' ' LEU . 13.1 tp10 -64.85 -59.11 4.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.696 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -39.04 -56.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 108.299 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HA ' ' HE2' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -39.63 -62.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' CD ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -95.99 92.25 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.057 HD22 ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER 166.87 -34.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.474 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.806 ' N ' HD13 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -131.32 11.84 4.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 46' ' ' THR . 33.2 t60 -44.03 -27.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.614 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.408 ' N ' ' C ' ' A' ' 39' ' ' PHE . 17.5 p -80.23 -39.52 28.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.778 HG23 ' HD2' ' A' ' 43' ' ' PRO . 25.0 mm -45.79 143.88 2.98 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.778 ' HD2' HG23 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -74.97 102.98 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.547 ' CG ' ' C ' ' A' ' 43' ' ' PRO . 1.5 m-85 75.97 0.4 3.31 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' SG ' ' A' ' 49' ' ' CYS . . . -49.14 -41.99 31.07 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.474 1.109 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' HIS . 68.5 p -72.15 -42.92 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 0.798 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -54.49 -54.48 40.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.331 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -35.37 80.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.281 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.668 ' O ' HG13 ' A' ' 53' ' ' VAL . 6.3 m -54.14 -43.78 70.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 108.321 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.58 -23.37 56.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.34 10.64 26.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.619 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.8 t80 -113.28 -41.69 3.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.835 HG12 ' CD1' ' A' ' 31' ' ' PHE . 2.1 m -56.76 -17.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' O ' ' CB ' ' A' ' 55' ' ' SER . 8.3 t-20 -134.87 73.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 54' ' ' ASN . 0.6 OUTLIER 162.52 -27.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 7.0 mmtt -128.8 6.38 5.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.3 t -98.4 -49.82 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.626 1.204 . . . . 0.0 109.353 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.652 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -50.98 -43.62 84.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.3 Cg_endo -75.04 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.53 1.805 . . . . 0.0 111.046 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.686 HG23 HG11 ' A' ' 73' ' ' VAL . 12.5 mt -46.58 -61.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.889 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.5 mt -56.59 -21.73 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.344 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.48 -30.55 71.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.581 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.916 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -83.67 -54.53 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.375 1.047 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.03 HD11 ' CG1' ' A' ' 13' ' ' VAL . 92.8 mt -47.44 -42.21 21.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.06 -43.86 90.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.25 -90.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -163.48 24.39 0.19 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.492 ' HG1' ' CD ' ' A' ' 63' ' ' GLU . 20.9 m -102.76 162.37 12.98 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.425 0.72 . . . . 0.0 110.372 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 1.044 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -97.09 -176.19 0.51 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.916 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.4 Cg_endo -74.92 -40.49 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.538 1.809 . . . . 0.0 111.024 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -91.36 44.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.267 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' O ' ' HB ' ' A' ' 75' ' ' THR . 2.8 m-20 -156.29 -41.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.044 HG23 ' O ' ' A' ' 69' ' ' ALA . 40.7 t -39.77 -89.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -39.61 -56.6 1.64 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.521 1.138 . . . . 0.0 108.252 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.504 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 38.2 m -33.98 -80.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.393 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.75 -25.0 16.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' CD2' ' HG3' ' A' ' 63' ' ' GLU . 1.4 mm? -78.83 3.49 16.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 62.84 11.3 4.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 2.0 tm-20 -88.47 -25.91 22.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 110.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 0.8 OUTLIER -119.39 133.04 23.78 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 108.34 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.494 ' HA ' ' SG ' ' A' ' 6' ' ' CYS . 18.4 Cg_endo . . . . . 0 C--N 1.358 1.075 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.003 -0.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 p -164.88 86.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 4' ' ' LEU . . . -172.95 70.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD13 ' CE1' ' A' ' 39' ' ' PHE . 3.7 pp 35.42 50.6 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 8' ' ' MET . 0.5 OUTLIER -86.92 -20.78 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 110.038 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 9' ' ' CYS . 53.6 t -59.37 -70.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 0.0 108.324 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -35.84 -48.4 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.587 ' HB3' ' CD2' ' A' ' 52' ' ' TYR . 21.6 mtt -45.44 -45.37 12.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.908 ' O ' HG13 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -55.84 -36.08 67.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 108.338 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -75.95 -6.14 49.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 34' ' ' GLU . 60.9 tp -94.08 -49.97 5.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.858 ' CG2' HG21 ' A' ' 60' ' ' ILE . 13.1 m -62.03 -36.6 75.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.908 HG13 ' O ' ' A' ' 9' ' ' CYS . 12.6 m -68.15 -57.2 10.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -52.13 -34.07 42.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' CG ' ' HB3' ' A' ' 30' ' ' ASP . 63.2 mmtt -77.2 -38.49 51.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.252 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 1.125 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -81.43 -73.71 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.976 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' HG2' HD13 ' A' ' 64' ' ' LEU . 5.5 mm-40 -37.14 -39.69 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.95 54.42 0.57 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.53 1.144 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -108.97 -36.62 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 110.025 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 67.33 9.94 7.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' N ' ' HE2' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -122.18 -13.88 8.05 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.436 ' HE2' ' N ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER 40.56 52.77 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' CG ' HG23 ' A' ' 26' ' ' VAL . 56.2 t0 -131.58 108.35 9.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 28' ' ' LYS . . . -58.69 -14.74 9.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.483 ' CB ' ' OD1' ' A' ' 23' ' ' ASP . 6.8 t-20 -79.26 -61.27 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.595 HG23 ' CG ' ' A' ' 23' ' ' ASP . 1.9 t -68.47 -11.26 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.862 HG21 ' HB2' ' A' ' 16' ' ' TYR . 88.0 mt -90.36 -62.79 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -48.61 -31.76 7.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 13.9 mtpp -73.15 -50.65 21.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.736 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -47.72 -50.5 25.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.771 ' CD2' HD23 ' A' ' 11' ' ' LEU . 4.3 t80 -47.83 -53.82 14.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -58.79 -19.39 40.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.736 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -75.83 -69.21 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.832 ' HB3' HD11 ' A' ' 11' ' ' LEU . 12.0 tp10 -54.98 -27.45 44.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -68.04 -48.04 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 108.292 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.29 -5.28 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.83 -29.05 9.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' H ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -106.16 -63.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.975 ' CE1' HD13 ' A' ' 4' ' ' LEU . 4.1 m-85 -66.1 -7.68 19.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.575 ' CD2' ' N ' ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.69 -59.66 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.631 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.575 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -42.59 -26.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.363 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.546 ' CG2' ' HD2' ' A' ' 43' ' ' PRO . 3.9 mm -83.64 141.99 42.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.546 ' HD2' ' CG2' ' A' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -79.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.423 1.749 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.453 ' HA ' ' CD ' ' A' ' 47' ' ' ARG . 15.7 p90 -63.3 -15.07 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.43 -52.39 10.85 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.0 p -62.33 -40.36 96.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 0.76 . . . . 0.0 110.407 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' CD ' ' HA ' ' A' ' 44' ' ' PHE . 2.1 mtt180 -62.76 -43.74 98.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -70.75 -31.12 67.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 m -60.34 -57.19 13.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 108.268 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.83 -24.75 58.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.342 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' OG ' ' A' ' 55' ' ' SER . 4.0 m80 -91.67 2.69 56.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.587 ' CD2' ' HB3' ' A' ' 8' ' ' MET . 31.9 t80 -109.34 -43.3 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG12 ' CD1' ' A' ' 31' ' ' PHE . 7.3 m -61.41 -14.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 58.15 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 56' ' ' LYS . 29.0 m -169.39 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.803 ' O ' HD12 ' A' ' 60' ' ' ILE . 0.2 OUTLIER -131.54 23.11 4.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG21 ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.37 -24.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.244 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.646 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.2 OUTLIER -76.41 -43.73 3.36 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' HB2' HD22 ' A' ' 77' ' ' LEU . 18.1 Cg_endo -75.01 -55.76 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.528 1.804 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.934 HG23 HG11 ' A' ' 73' ' ' VAL . 64.2 mt -43.28 -50.49 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.125 HG23 ' CE2' ' A' ' 16' ' ' TYR . 92.0 mt -61.4 -27.94 42.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.392 1.058 . . . . 0.0 109.342 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -68.67 -31.27 70.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.985 ' HB3' HG22 ' A' ' 73' ' ' VAL . 7.0 mm-40 -67.84 -36.54 80.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 HG12 ' A' ' 13' ' ' VAL . 0.5 OUTLIER -87.4 -15.95 36.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.392 1.057 . . . . 0.0 109.337 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.96 -44.79 94.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 172.68 102.43 0.16 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 146.73 -56.08 0.52 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.536 ' OG1' ' OE2' ' A' ' 63' ' ' GLU . 17.8 m -114.32 171.97 7.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 110.429 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.955 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -118.99 174.28 2.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.771 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 18.1 Cg_endo -74.99 72.75 4.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.92 -38.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -111.74 21.56 15.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.985 HG22 ' HB3' ' A' ' 63' ' ' GLU . 13.3 t -72.43 -82.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.618 ' CB ' ' HB3' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -35.31 -54.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 108.321 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.51 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 90.8 m -46.04 -54.19 8.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.535 ' CG ' ' OE2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -40.96 -53.21 3.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.757 HD22 ' HB2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -93.62 45.6 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 77' ' ' LEU . 41.3 m-20 32.8 38.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.618 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 0.2 OUTLIER -94.71 -23.64 17.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.288 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 75' ' ' THR . 1.3 m -121.14 136.29 25.58 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 108.282 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.193 0 C-N-CA 121.02 -2.492 . . . . 0.0 111.031 0.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 75.8 mtt85 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -110.84 -17.45 13.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -49.91 -56.9 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.807 HD13 HD13 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -171.16 127.79 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.478 ' O ' ' HB2' ' A' ' 8' ' ' MET . 31.4 p -173.41 -61.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 81' ' ' PRO . 52.9 t -39.48 -61.58 0.78 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -37.22 -53.44 1.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.566 ' CE ' ' CE2' ' A' ' 39' ' ' PHE . 23.3 mtt -45.38 -47.38 13.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.701 ' HB2' HD11 ' A' ' 60' ' ' ILE . 0.0 OUTLIER -55.46 -34.79 64.83 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.48 1.112 . . . . 0.0 108.281 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.552 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -78.59 -5.17 52.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.944 HD23 ' CD2' ' A' ' 31' ' ' PHE . 59.5 tp -93.7 -44.04 8.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.395 1.06 . . . . 0.0 109.259 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.677 ' CG2' HG21 ' A' ' 60' ' ' ILE . 6.1 m -71.19 -45.67 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.371 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.79 HG12 HD11 ' A' ' 64' ' ' LEU . 30.1 m -61.98 -59.92 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.648 ' N ' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -47.75 -31.59 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 19' ' ' SER . 19.7 mmtt -77.55 -37.11 51.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.355 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.924 ' CE2' HG23 ' A' ' 61' ' ' ILE . 0.8 OUTLIER -84.01 -72.54 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.054 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.483 ' HG2' ' CB ' ' A' ' 70' ' ' PRO . 1.8 pp20? -42.65 -32.7 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.9 44.8 1.29 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.398 1.061 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.685 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.2 OUTLIER -87.57 -45.9 10.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 0.768 . . . . 0.0 110.032 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 19' ' ' SER . . . 83.71 -6.58 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -118.42 -19.86 8.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER 52.01 67.7 0.93 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.534 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.8 t0 -144.77 101.77 3.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.41 ' HA ' ' HB ' ' A' ' 27' ' ' ILE . . . -53.35 -16.89 1.52 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.446 1.091 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 23' ' ' ASP . 1.2 t-20 -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.205 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG23 ' HB3' ' A' ' 23' ' ' ASP . 2.8 t -77.27 -6.03 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.386 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 16' ' ' TYR . 66.7 mt -92.28 -76.84 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.307 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HB2' ' HB ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -39.12 -41.66 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -66.75 -56.62 9.67 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.71 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 2.1 m-20 -42.04 -53.93 3.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.944 ' CD2' HD23 ' A' ' 11' ' ' LEU . 2.4 t80 -42.56 -56.11 3.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.464 ' N ' ' HD1' ' A' ' 31' ' ' PHE . 18.1 t0 -48.83 -32.07 8.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 30' ' ' ASP . . . -62.44 -57.23 11.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.927 ' HB3' HD11 ' A' ' 11' ' ' LEU . 10.8 tp10 -85.55 20.29 2.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.613 ' SG ' ' CE1' ' A' ' 31' ' ' PHE . 9.3 t -113.92 -50.85 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.266 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 40' ' ' HIS . 2.1 mtpt -63.2 -45.43 91.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -10.05 59.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 29.7 tp -93.04 -57.55 2.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.443 1.09 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.743 ' CE1' HD12 ' A' ' 4' ' ' LEU . 19.5 m-85 -91.36 10.16 28.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.599 1.187 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.704 ' CD2' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -42.59 -37.39 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.591 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' CD2' ' A' ' 40' ' ' HIS . 72.8 p -110.43 41.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.417 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.807 HD13 HD13 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -126.07 151.5 71.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.674 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 18.3 Cg_endo -74.98 129.35 12.28 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.533 1.807 . . . . 0.0 111.002 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 43' ' ' PRO . 45.8 p90 45.83 21.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.787 ' HA3' HG22 ' A' ' 42' ' ' ILE . . . -65.83 -70.52 1.08 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 49' ' ' CYS . 44.7 p -44.62 -54.55 6.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.419 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -46.49 -36.43 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 5.0 mm-40 -71.44 -31.6 67.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 46' ' ' THR . 71.7 m -54.35 -64.29 0.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 108.256 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.84 -24.78 53.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -87.49 4.24 44.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.615 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.604 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 8.2 t80 -117.0 -49.38 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 110.982 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 53' ' ' VAL . 2.2 m -75.26 57.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 9.5 t-20 173.6 -29.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.489 ' O ' ' CD ' ' A' ' 59' ' ' PRO . 1.4 m -109.9 -48.22 3.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.987 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HB2' ' CD1' ' A' ' 52' ' ' TYR . 12.8 mptt -92.79 3.07 56.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' CG2' ' HA ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -97.28 -50.93 11.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.635 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -48.94 -44.75 72.28 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.679 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 18.4 Cg_endo -74.99 -57.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.485 1.782 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 9' ' ' CYS . 12.7 mt -44.82 -60.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.924 HG23 ' CE2' ' A' ' 16' ' ' TYR . 1.4 mt -57.2 -22.89 17.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.679 ' CD2' ' O ' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -64.06 -29.14 70.3 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 109.586 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.966 ' HB3' HG22 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.24 -55.57 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 HG12 ' A' ' 13' ' ' VAL . 36.2 mt -50.97 -36.04 36.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.402 ' HG2' ' OH ' ' A' ' 16' ' ' TYR . 1.3 mt-10 -69.29 -36.84 77.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.98 -42.03 92.91 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.565 1.166 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 144.38 -13.0 2.05 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.498 ' CB ' ' CD ' ' A' ' 63' ' ' GLU . 3.5 m -57.57 153.01 13.85 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.529 0.782 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.73 ' O ' HG23 ' A' ' 73' ' ' VAL . . . -79.95 158.9 72.08 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.642 ' HA ' HD21 ' A' ' 64' ' ' LEU . 18.3 Cg_endo -74.94 55.39 3.9 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.423 1.749 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.5 -43.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.423 ' HB3' HG23 ' A' ' 68' ' ' THR . 6.5 t70 -81.05 -0.34 39.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.966 HG22 ' HB3' ' A' ' 63' ' ' GLU . 55.0 t -67.43 -91.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 80' ' ' CYS . 0.8 OUTLIER -37.21 -43.26 0.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 108.311 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 80' ' ' CYS . 53.6 m -39.7 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -21.06 3.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' VAL . 3.1 mm? -76.36 -0.05 21.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' THR . 6.5 m-20 65.29 10.25 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.523 ' HB3' ' CB ' ' A' ' 74' ' ' CYS . 1.2 tm-20 -91.49 -25.44 19.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 1.122 ' SG ' ' SG ' ' A' ' 74' ' ' CYS . 1.3 m -121.88 134.38 24.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 108.305 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 80' ' ' CYS . 18.0 Cg_endo . . . . . 0 C--N 1.361 1.211 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.949 0.067 . . . . . . . . 1 1 . 1 stop_ save_