data_2k93_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 2k93 _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 ' 3' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 11' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.435 ' CD1' HG13 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 11' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' THR . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.475 ' CB ' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.405 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' GLY . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 65' ' ' VAL . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' VAL . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 34' ' ' ALA . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 54' ' ' ILE . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 50' ' ' PHE . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' ILE . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 7' ' ' VAL . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.445 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 42' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.437 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 65' ' ' VAL . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CB ' ' OE1' ' A' ' 14' ' ' GLN . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.515 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.416 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG23 ' CG1' ' A' ' 22' ' ' VAL . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG1' HD22 ' A' ' 46' ' ' LEU . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' ALA . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 3' ' ' ILE . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.491 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 27' ' ' SER . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' CB ' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLU . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 72' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG2' HD21 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CD1' HD22 ' A' ' 46' ' ' LEU . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pt20 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' VAL . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.526 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.472 ' O ' HD11 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 71' ' ' TYR . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.469 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 26' ' ' ALA . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.515 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 11' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' ' CA ' ' A' ' 33' ' ' GLY . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 38' ' ' ASP . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.525 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.608 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.515 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.474 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' CB ' HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 46' ' ' LEU . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' CG1' ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.418 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB1' ' CG1' ' A' ' 7' ' ' VAL . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 4' ' ' GLU . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CG1' HD23 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.446 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' NE2' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 1.7 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 65' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.453 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 3.6 p30 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CB ' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 63' ' ' THR . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' CB ' ' A' ' 4' ' ' GLU . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 69' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG11 ' CB ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' C ' ' A' ' 53' ' ' GLU . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.531 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CB ' ' HG3' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.486 ' OE1' ' CB ' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.486 ' CB ' ' OE1' ' A' ' 14' ' ' GLN . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.436 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.622 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' A' ' 67' ' ' ALA . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.531 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 46' ' ' LEU . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' CB ' HG12 ' A' ' 69' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG1' HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 22' ' ' VAL . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 17' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.531 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.5 HG13 ' CG1' ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.531 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 75' ' ' HIS . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.509 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' GLN . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 21' ' ' GLU . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' VAL . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 63' ' ' THR . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 28' ' ' PHE . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 46' ' ' LEU . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.613 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.414 ' CG1' ' CD1' ' A' ' 69' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CG2' HG13 ' A' ' 22' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 17' ' ' VAL . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' HG21 ' A' ' 17' ' ' VAL . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' VAL . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pp0? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.495 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.44 HG12 ' CG2' ' A' ' 11' ' ' ILE . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.487 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.56 ' CG1' ' CD2' ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.528 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 1.3 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 11' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' CE ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG2' ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.412 ' HA ' ' CE ' ' A' ' 8' ' ' LYS . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD2' HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.419 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.497 HD13 ' CE1' ' A' ' 71' ' ' TYR . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.614 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 HG11 ' CE ' ' A' ' 8' ' ' LYS . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 4' ' ' GLU . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE1' HD13 ' A' ' 62' ' ' ILE . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.409 ' CD2' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.409 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.533 ' CB ' HG12 ' A' ' 69' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 32' ' ' LEU . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 22' ' ' VAL . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 17' ' ' VAL . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' VAL . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 63' ' ' THR . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.703 ' CE2' ' CG2' ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.703 ' CG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG1' HD22 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 38' ' ' ASP . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 15' ' ' LEU . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD1' ' HB ' ' A' ' 54' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.484 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 62' ' ' ILE . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 22' ' ' VAL . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.506 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 65' ' ' VAL . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' SER . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.493 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 72' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 11' ' ' ILE . 12.7 mm100 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.48 HG21 ' CG2' ' A' ' 17' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.647 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 63' ' ' THR . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' HB3' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.647 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 29' ' ' VAL . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 72' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.455 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.422 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 65' ' ' VAL . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' A' ' 46' ' ' LEU . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' GLU . 41.3 p -61.26 177.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -50.39 -74.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' HB2' ' N ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.435 HG13 ' CD1' ' A' ' 11' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.435 ' CD1' HG13 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.422 ' NE2' HG13 ' A' ' 11' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HG ' ' A' ' 32' ' ' LEU . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 20' ' ' GLU . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.505 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 23' ' ' THR . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 15' ' ' LEU . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.475 ' CB ' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.405 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.431 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.431 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.475 ' CG2' ' HB1' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG23 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.567 HE21 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -74.36 -56.34 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 5' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -89.41 164.34 14.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -46.87 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.476 ' CG1' HD13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 12' ' ' GLY . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 65' ' ' VAL . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' VAL . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.477 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 34' ' ' ALA . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 32' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 ' CD1' HD11 ' A' ' 54' ' ' ILE . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 50' ' ' PHE . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 55' ' ' PRO . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.508 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 62' ' ' ILE . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' CG2' HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 4' ' ' GLU . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 HD13 ' CG1' ' A' ' 7' ' ' VAL . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.445 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.476 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -67.07 142.93 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 2' ' ' THR . 88.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.5 p 51.88 171.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.542 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -82.4 -46.86 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' CG1' ' CD1' ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.527 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' A' ' 42' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.437 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' CB ' HG12 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 65' ' ' VAL . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CB ' ' OE1' ' A' ' 14' ' ' GLN . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.476 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.515 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.416 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG23 ' CG1' ' A' ' 22' ' ' VAL . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.404 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG1' HD22 ' A' ' 46' ' ' LEU . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.542 ' NE2' ' CD1' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -47.12 127.1 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.432 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 72.0 p -70.82 171.36 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.501 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -51.53 -72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 34' ' ' ALA . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.475 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.419 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.563 HD12 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.461 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.451 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.492 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE2' HD12 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 3' ' ' ILE . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.553 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.39 148.07 48.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 162.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -78.43 -49.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.447 ' OE1' ' N ' ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 16' ' ' GLY . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' CG2' ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 20' ' ' GLU . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.491 ' HA ' ' CA ' ' A' ' 33' ' ' GLY . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 27' ' ' SER . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 32' ' ' LEU . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.433 ' CG ' ' CB ' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 49' ' ' GLU . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 72' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.453 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' CD ' ' CE2' ' A' ' 71' ' ' TYR . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' CG2' HD21 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CD1' HD22 ' A' ' 46' ' ' LEU . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.46 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pt20 -38.29 136.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -96.6 158.4 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.476 ' CG2' HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -78.66 -32.44 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' CD1' HG21 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.426 ' CG2' ' C ' ' A' ' 16' ' ' GLY . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 22' ' ' VAL . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' ALA . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.526 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' O ' HD11 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.526 ' OE1' ' CZ ' ' A' ' 71' ' ' TYR . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.469 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 26' ' ' ALA . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.534 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -120.26 165.29 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p -120.09 173.02 7.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.505 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -62.64 -72.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 11' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' ' CA ' ' A' ' 33' ' ' GLY . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 38' ' ' ASP . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.502 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' O ' ' CG2' ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.525 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.608 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.515 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' CD2' HD11 ' A' ' 62' ' ' ILE . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.17 130.31 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -71.3 157.1 38.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 ' CD1' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -77.26 -35.38 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.474 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG13 ' CB ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' CB ' HG13 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HG21 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD23 ' CG1' ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 46' ' ' LEU . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.507 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.418 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' CG1' ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.418 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB1' ' CG1' ' A' ' 7' ' ' VAL . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG12 ' CG ' ' A' ' 4' ' ' GLU . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.458 ' CG1' HD23 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.446 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' NE2' ' CD1' ' A' ' 3' ' ' ILE . 0.4 OUTLIER -48.91 143.37 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 6' ' ' ARG . 69.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.413 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 37.5 p -76.77 168.32 20.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 1.7 mm -41.57 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.508 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 2' ' ' THR . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 1' ' ' SER . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 21' ' ' GLU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' HG22 ' A' ' 65' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.453 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 3.6 p30 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CB ' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' O ' HG22 ' A' ' 63' ' ' THR . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.49 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.508 HG12 ' CB ' ' A' ' 4' ' ' GLU . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CD1' HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 39.46 -162.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -89.31 170.74 10.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.512 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -52.4 -73.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 69' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG11 ' CB ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB2' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG2' ' HB1' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB1' ' CG2' ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' ' CG ' ' A' ' 47' ' ' GLU . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.56 ' O ' ' C ' ' A' ' 53' ' ' GLU . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' ' HB2' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -32.41 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -117.89 161.57 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.442 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -49.85 -64.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.531 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.473 ' CB ' ' HG3' ' A' ' 19' ' ' GLN . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CD1' HG13 ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.486 ' OE1' ' CB ' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.473 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.528 HD12 ' CD1' ' A' ' 28' ' ' PHE . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' CB ' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.486 ' CB ' ' OE1' ' A' ' 14' ' ' GLN . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.436 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' O ' ' CG2' ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.622 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' A' ' 67' ' ' ALA . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.531 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CD1' HD23 ' A' ' 46' ' ' LEU . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 38.72 -159.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.45 ' OG ' ' NH1' ' A' ' 6' ' ' ARG . 20.7 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 p -90.58 176.02 6.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -57.55 -65.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' CB ' HG12 ' A' ' 69' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' NH1' ' OG ' ' A' ' 1' ' ' SER . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG1' HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' A' ' 22' ' ' VAL . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' CD1' ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.495 ' CG2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 17' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' SER . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' O ' ' CD1' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 49' ' ' GLU . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.531 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.463 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' CG2' HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.5 HG13 ' CG1' ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.531 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.531 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -118.44 164.83 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -125.32 171.29 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -60.51 -79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.509 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 13' ' ' GLN . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 37' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG11 ' CB ' ' A' ' 21' ' ' GLU . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' CB ' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' VAL . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.613 ' CE1' ' O ' ' A' ' 63' ' ' THR . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.423 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' A' ' 28' ' ' PHE . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' GLY . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.412 ' CD1' HD13 ' A' ' 46' ' ' LEU . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.613 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 ' CD1' ' CG2' ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.6 -175.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -74.52 171.02 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.489 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER -46.75 -74.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.498 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.414 ' CG1' ' CD1' ' A' ' 69' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' CG2' HG13 ' A' ' 22' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.475 HD12 ' CG1' ' A' ' 17' ' ' VAL . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' O ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.481 ' CG2' HG21 ' A' ' 17' ' ' VAL . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' O ' ' A' ' 22' ' ' VAL . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HG ' ' CD2' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.463 ' N ' ' HA ' ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.538 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 68' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.498 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CD1' HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pp0? -140.76 78.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.424 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 11.9 p -74.95 164.29 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -45.7 -55.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 2' ' ' THR . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.499 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.44 HG12 ' CG2' ' A' ' 11' ' ' ILE . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' HA ' ' N ' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.56 ' CD2' ' CG1' ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.487 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.56 ' CG1' ' CD2' ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 133.65 56.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.6 p -85.23 164.84 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.528 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 1.3 mm -42.79 -80.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.528 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 11' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' CE ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' CG2' ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.469 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.498 ' OE1' ' CG2' ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.412 ' HA ' ' CE ' ' A' ' 8' ' ' LYS . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.439 ' CB ' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' ALA . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD2' HG23 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.419 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' ' CG2' ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.497 HD13 ' CE1' ' A' ' 71' ' ' TYR . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.614 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 HG11 ' CE ' ' A' ' 8' ' ' LYS . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.495 HG12 ' CB ' ' A' ' 4' ' ' GLU . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.497 ' CE1' HD13 ' A' ' 62' ' ' ILE . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' CD2' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.409 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -68.42 99.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p -108.4 170.29 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -54.26 -72.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.533 ' CB ' HG12 ' A' ' 69' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.485 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 HD13 ' CD1' ' A' ' 32' ' ' LEU . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG23 ' CG2' ' A' ' 22' ' ' VAL . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.483 ' CG2' HG23 ' A' ' 17' ' ' VAL . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' VAL . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB1' ' N ' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.628 ' CD1' ' O ' ' A' ' 63' ' ' THR . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.484 ' CG2' ' HB3' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' ALA . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD22 ' CG1' ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.649 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.703 ' CE2' ' CG2' ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.703 ' CG2' ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.553 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG2' HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.48 ' CG1' HD22 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.74 -28.06 60.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -123.66 147.6 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -45.87 -61.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' GLN . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 38' ' ' ASP . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 HD13 ' CG1' ' A' ' 17' ' ' VAL . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.474 ' CG1' HD13 ' A' ' 15' ' ' LEU . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' H ' ' CG2' ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD13 ' CD1' ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD1' ' HB ' ' A' ' 54' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.484 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.484 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CD1' HD13 ' A' ' 62' ' ' ILE . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.465 HD13 ' CD1' ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.42 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.469 HG22 ' CG1' ' A' ' 22' ' ' VAL . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -59.84 135.28 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 p -100.47 178.24 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -61.86 -68.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 11' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.514 ' HG2' ' CD2' ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' CD2' ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.489 ' O ' ' CG2' ' A' ' 17' ' ' VAL . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.506 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.473 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 ' CG1' ' HG2' ' A' ' 8' ' ' LYS . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.506 ' CG2' ' HA ' ' A' ' 20' ' ' GLU . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' CB ' HG23 ' A' ' 65' ' ' VAL . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 27' ' ' SER . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB2' ' CG2' ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.422 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.455 ' CD1' ' HD2' ' A' ' 55' ' ' PRO . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.445 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 HG23 ' CB ' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.493 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.474 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -121.98 162.62 20.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -122.58 158.07 30.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.477 ' CG2' HG21 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -78.52 -35.43 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 4' ' ' GLU . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CG ' ' HA ' ' A' ' 11' ' ' ILE . 12.7 mm100 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.48 HG21 ' CG2' ' A' ' 17' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.647 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 63' ' ' THR . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' N ' ' HB3' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.647 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.508 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' N ' ' A' ' 29' ' ' VAL . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' CG2' ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 ' CD2' HD13 ' A' ' 72' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.458 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.443 ' O ' ' CG2' ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.455 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.518 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.422 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' HG13 ' A' ' 65' ' ' VAL . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.482 HD13 ' CD2' ' A' ' 46' ' ' LEU . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' HA ' ' CD1' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -18.97 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.736 ' N ' HG22 ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.643 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.472 HE21 HG22 ' A' ' 10' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD11 ' CG ' ' A' ' 38' ' ' ASP . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 32' ' ' LEU . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' A' ' 22' ' ' VAL . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 17' ' ' VAL . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.784 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.747 ' CG ' HD11 ' A' ' 15' ' ' LEU . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 54' ' ' ILE . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.774 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.699 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.686 ' O ' HG22 ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.725 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.701 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.783 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.049 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.97 HG21 HD11 ' A' ' 32' ' ' LEU . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' HG23 ' A' ' 23' ' ' THR . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' CG2' ' A' ' 11' ' ' ILE . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' GLU . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD12 ' A' ' 15' ' ' LEU . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HB2' HD11 ' A' ' 15' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HB2' HD21 ' A' ' 15' ' ' LEU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.597 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 54' ' ' ILE . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.792 ' O ' HG22 ' A' ' 52' ' ' THR . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.788 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 46' ' ' LEU . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.597 HG21 HD23 ' A' ' 42' ' ' LEU . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 62' ' ' ILE . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.692 HD11 ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.739 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HA ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 HD12 ' A' ' 3' ' ' ILE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 1.6 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.653 HD11 ' OE1' ' A' ' 76' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.946 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.791 ' HG2' HD23 ' A' ' 15' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.864 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.864 HG23 HD12 ' A' ' 15' ' ' LEU . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.702 ' H ' HG12 ' A' ' 17' ' ' VAL . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.03 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 15' ' ' LEU . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.03 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' SER . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.855 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.655 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 26' ' ' ALA . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.592 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 66' ' ' GLN . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.456 ' HB3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 68' ' ' ALA . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.653 ' OE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.799 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.788 HG12 ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.788 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 15' ' ' LEU . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG23 HD12 ' A' ' 15' ' ' LEU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' THR . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 15' ' ' LEU . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.971 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' THR . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.135 HD22 HD11 ' A' ' 72' ' ' ILE . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.67 ' OE1' HD12 ' A' ' 72' ' ' ILE . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PHE . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.623 ' HB ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 26' ' ' ALA . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.572 HG13 HG11 ' A' ' 7' ' ' VAL . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.135 HD11 HD22 ' A' ' 46' ' ' LEU . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 3' ' ' ILE . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.668 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.488 ' NE2' HD12 ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.7 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.622 ' HA ' HG12 ' A' ' 22' ' ' VAL . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 34' ' ' ALA . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.822 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.939 ' HA ' HG22 ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 54' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.793 HG22 ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.939 HG22 ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 62' ' ' ILE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.549 HG22 HD22 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' HG23 ' A' ' 62' ' ' ILE . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 3' ' ' ILE . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.693 ' HA ' HD13 ' A' ' 3' ' ' ILE . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.9 pt20 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.534 HD13 HG22 ' A' ' 72' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 11' ' ' ILE . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.851 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.457 HG13 HG12 ' A' ' 7' ' ' VAL . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.839 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' HB2' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.581 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HA ' HG22 ' A' ' 54' ' ' ILE . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.851 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.033 HD22 HD11 ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.533 ' O ' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' A' ' 54' ' ' ILE . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 62' ' ' ILE . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' SER . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.033 HD11 HD22 ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.953 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 69' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.982 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.666 HG12 HG21 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.601 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.726 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.601 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 36' ' ' SER . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.982 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 42' ' ' LEU . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.858 HG13 HD13 ' A' ' 46' ' ' LEU . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' GLU . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.666 HG21 HG12 ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.677 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 3' ' ' ILE . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 ' OE1' ' A' ' 76' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CG2' HG11 ' A' ' 22' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' C ' HD23 ' A' ' 15' ' ' LEU . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HG ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HA ' HG12 ' A' ' 65' ' ' VAL . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HG ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HG22 ' A' ' 54' ' ' ILE . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.911 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 43' ' ' VAL . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 HG12 ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.633 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.696 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.569 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.981 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 3' ' ' ILE . 1.3 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.757 HG22 ' N ' ' A' ' 4' ' ' GLU . 1.7 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.757 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 3' ' ' ILE . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.904 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 15' ' ' LEU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.642 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 22' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 2.3 p-10 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.04 HG22 ' HB2' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.943 HD22 HD11 ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.656 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.844 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.689 ' O ' HD12 ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 65' ' ' VAL . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.943 HD11 HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.537 ' ND2' HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.677 ' CD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.721 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.712 ' OE1' HD12 ' A' ' 42' ' ' LEU . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' THR . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.491 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.94 HG22 ' HB2' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.94 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.819 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 36' ' ' SER . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.712 HD12 ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 39' ' ' THR . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 52' ' ' THR . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 62' ' ' ILE . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.842 HD12 HD11 ' A' ' 54' ' ' ILE . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.66 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 1.005 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' NZ ' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.867 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' OE1' ' HB2' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.67 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.549 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.018 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.809 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 62' ' ' ILE . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 66' ' ' GLN . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HD12 ' A' ' 3' ' ' ILE . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.641 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.698 HG11 HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.704 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' OE1' ' A' ' 14' ' ' GLN . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 11' ' ' ILE . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.928 HD12 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.928 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG12 HG21 ' A' ' 65' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 31' ' ' ASP . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.531 ' HA ' HG22 ' A' ' 54' ' ' ILE . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.722 HG22 ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.987 HD11 HD12 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.987 HD12 HD11 ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.725 HG21 HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.698 HG13 HG11 ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.769 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.769 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.835 HG21 ' CD1' ' A' ' 69' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.879 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.654 HD12 HG22 ' A' ' 65' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.508 ' O ' HD23 ' A' ' 15' ' ' LEU . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.737 HD12 HD22 ' A' ' 32' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.847 ' CG1' HG21 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 23' ' ' THR . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 HD12 ' A' ' 15' ' ' LEU . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' OD2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 36' ' ' SER . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 54' ' ' ILE . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' C ' HD13 ' A' ' 69' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.835 ' CD1' HG21 ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 HD22 ' A' ' 46' ' ' LEU . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.515 ' NE2' HG13 ' A' ' 3' ' ' ILE . 1.2 pt20 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.735 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 3' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' HG ' ' A' ' 32' ' ' LEU . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.741 ' CG1' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.839 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.139 HG22 ' HB2' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.013 ' HG ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.139 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 43' ' ' VAL . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HB3' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.794 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 63' ' ' THR . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.794 HD12 ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 60' ' ' GLU . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.839 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.558 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 17' ' ' VAL . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.031 HG22 ' HB2' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.538 ' CD2' HD13 ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.031 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.845 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.609 ' HA ' HG23 ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.666 ' O ' HG22 ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 65' ' ' VAL . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.996 HD11 HD21 ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 72' ' ' ILE . 1.3 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.762 ' N ' HG22 ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 3' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.656 HG22 ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.702 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.973 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HD13 ' A' ' 15' ' ' LEU . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.779 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 56' ' ' ASP . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 72' ' ' ILE . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' PHE . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' HB3' ' A' ' 50' ' ' PHE . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.846 ' O ' HG13 ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 54' ' ' ILE . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.973 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.749 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.679 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.882 HG22 HD12 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.775 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.422 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.72 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HZ1' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.629 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.736 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.758 ' OE1' HD12 ' A' ' 42' ' ' LEU . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 17' ' ' VAL . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HD21 ' A' ' 15' ' ' LEU . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 23' ' ' THR . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG11 ' CG2' ' A' ' 11' ' ' ILE . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.706 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.734 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD11 HG21 ' A' ' 17' ' ' VAL . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.748 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.647 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CE2' HG21 ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.634 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' HG23 ' A' ' 63' ' ' THR . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.946 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.946 HD13 ' C ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.836 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.79 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 42' ' ' LEU . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.056 HD22 HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 15' ' ' LEU . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 22' ' ' VAL . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.617 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 17' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' HG12 ' A' ' 65' ' ' VAL . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.024 HG22 ' HB2' ' A' ' 34' ' ' ALA . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.056 HD12 HD22 ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 1.024 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' THR . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 72' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.737 ' HB ' HD12 ' A' ' 46' ' ' LEU . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 26' ' ' ALA . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.848 HG13 HG11 ' A' ' 7' ' ' VAL . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 46' ' ' LEU . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 1.8 pt20 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.795 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 3' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG11 HG13 ' A' ' 69' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.648 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 14' ' ' GLN . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 1.018 ' HG2' HD23 ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD23 ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.585 ' C ' HG13 ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG13 ' C ' ' A' ' 16' ' ' GLY . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 22' ' ' VAL . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.806 ' OD2' ' HB1' ' A' ' 26' ' ' ALA . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.943 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 46' ' ' LEU . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 39' ' ' THR . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.06 ' CD2' HD11 ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.86 HG13 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 54' ' ' ILE . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.794 HG21 ' HB3' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.68 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' HG23 ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.529 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 5.9 mm-40 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.511 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG12 HG21 ' A' ' 65' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' HA ' HG12 ' A' ' 65' ' ' VAL . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.648 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.715 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.675 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' C ' ' A' ' 28' ' ' PHE . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' HE22 ' A' ' 14' ' ' GLN . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 54' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.791 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.915 ' O ' HG23 ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG21 HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.74 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' GLU . 41.3 p -61.26 177.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -50.39 -74.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.736 ' N ' HG22 ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' HB2' ' N ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.643 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 HE21 HG22 ' A' ' 10' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD11 ' CG ' ' A' ' 38' ' ' ASP . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 32' ' ' LEU . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' A' ' 22' ' ' VAL . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 17' ' ' VAL . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.784 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.747 ' CG ' HD11 ' A' ' 15' ' ' LEU . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 54' ' ' ILE . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.774 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.699 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.686 ' O ' HG22 ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.36 -56.34 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.546 ' H2 ' ' HG2' ' A' ' 5' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -89.41 164.34 14.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.725 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -46.87 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.546 ' HG2' ' H2 ' ' A' ' 1' ' ' SER . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.701 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.783 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.049 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.97 HG21 HD11 ' A' ' 32' ' ' LEU . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' HG23 ' A' ' 23' ' ' THR . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' CG2' ' A' ' 11' ' ' ILE . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' GLU . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD12 ' A' ' 15' ' ' LEU . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HB2' HD11 ' A' ' 15' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HB2' HD21 ' A' ' 15' ' ' LEU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.597 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 54' ' ' ILE . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.792 ' O ' HG22 ' A' ' 52' ' ' THR . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.788 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 46' ' ' LEU . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.597 HG21 HD23 ' A' ' 42' ' ' LEU . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 62' ' ' ILE . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.692 HD11 ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.739 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HA ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 HD12 ' A' ' 3' ' ' ILE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 1.6 pt20 -67.07 142.93 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 2' ' ' THR . 88.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.5 p 51.88 171.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.653 HD11 ' OE1' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -82.4 -46.86 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.946 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.791 ' HG2' HD23 ' A' ' 15' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.864 HG23 HD12 ' A' ' 15' ' ' LEU . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.702 ' H ' HG12 ' A' ' 17' ' ' VAL . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.4 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.03 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 15' ' ' LEU . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.03 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' SER . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.855 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.655 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 26' ' ' ALA . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.592 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 66' ' ' GLN . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.456 ' HB3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 68' ' ' ALA . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.653 ' OE1' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -47.12 127.1 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.432 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 72.0 p -70.82 171.36 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.799 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -51.53 -72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.788 HG12 ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.788 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 15' ' ' LEU . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG23 HD12 ' A' ' 15' ' ' LEU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' THR . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 15' ' ' LEU . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.971 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' THR . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.135 HD22 HD11 ' A' ' 72' ' ' ILE . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.67 ' OE1' HD12 ' A' ' 72' ' ' ILE . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PHE . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.623 ' HB ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 26' ' ' ALA . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.572 HG13 HG11 ' A' ' 7' ' ' VAL . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.135 HD11 HD22 ' A' ' 46' ' ' LEU . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -70.39 148.07 48.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 162.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.43 -49.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 3' ' ' ILE . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.668 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.488 ' NE2' HD12 ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.7 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.622 ' HA ' HG12 ' A' ' 22' ' ' VAL . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 34' ' ' ALA . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.822 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.939 ' HA ' HG22 ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 54' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.793 HG22 ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.939 HG22 ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.692 ' O ' HG22 ' A' ' 62' ' ' ILE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.549 HG22 HD22 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' HG23 ' A' ' 62' ' ' ILE . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 3' ' ' ILE . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.693 ' HA ' HD13 ' A' ' 3' ' ' ILE . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' ASN . 1.9 pt20 -38.29 136.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -96.6 158.4 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.594 ' H ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -78.66 -32.44 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 11' ' ' ILE . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.851 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.457 HG13 HG12 ' A' ' 7' ' ' VAL . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.839 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' HB2' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.581 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HA ' HG22 ' A' ' 54' ' ' ILE . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.851 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.033 HD22 HD11 ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.533 ' O ' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' A' ' 54' ' ' ILE . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.543 ' O ' HG22 ' A' ' 62' ' ' ILE . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' SER . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.033 HD11 HD22 ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.26 165.29 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p -120.09 173.02 7.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.953 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -62.64 -72.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 69' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.982 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.666 HG12 HG21 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.601 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.726 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.601 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 36' ' ' SER . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.982 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 42' ' ' LEU . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.858 HG13 HD13 ' A' ' 46' ' ' LEU . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.697 ' O ' HG22 ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' GLU . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.666 HG21 HG12 ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.677 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 3' ' ' ILE . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -67.17 130.31 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -71.3 157.1 38.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.662 HD11 ' OE1' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -77.26 -35.38 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CG2' HG11 ' A' ' 22' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' C ' HD23 ' A' ' 15' ' ' LEU . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HG ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.406 ' HA ' HG12 ' A' ' 65' ' ' VAL . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.3 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HG ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HG22 ' A' ' 54' ' ' ILE . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.911 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.638 ' O ' ' CG ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 43' ' ' VAL . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.731 ' O ' HG22 ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 HG12 ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.633 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.696 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.569 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.981 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 3' ' ' ILE . 1.3 pt20 -48.91 143.37 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 6' ' ' ARG . 69.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.413 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 37.5 p -76.77 168.32 20.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.757 HG22 ' N ' ' A' ' 4' ' ' GLU . 1.7 mm -41.57 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.757 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 2' ' ' THR . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 1' ' ' SER . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 3' ' ' ILE . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.904 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 15' ' ' LEU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.642 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 22' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 2.3 p-10 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.04 HG22 ' HB2' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.943 HD22 HD11 ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.844 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.733 ' O ' HG22 ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.689 ' O ' HD12 ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 65' ' ' VAL . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.943 HD11 HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.537 ' ND2' HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.677 ' CD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 39.46 -162.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -89.31 170.74 10.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -52.4 -73.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.721 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.712 ' OE1' HD12 ' A' ' 42' ' ' LEU . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' THR . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.94 HG22 ' HB2' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.94 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.819 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 36' ' ' SER . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.712 HD12 ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 39' ' ' THR . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.739 HG23 ' O ' ' A' ' 52' ' ' THR . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 62' ' ' ILE . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.842 HD12 HD11 ' A' ' 54' ' ' ILE . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.66 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -32.41 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -117.89 161.57 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 1.005 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -49.85 -64.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' NZ ' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.867 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' OE1' ' HB2' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.67 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.549 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.018 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.809 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.508 ' O ' HG22 ' A' ' 62' ' ' ILE . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 66' ' ' GLN . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HD12 ' A' ' 3' ' ' ILE . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 38.72 -159.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.45 ' OG ' ' NH1' ' A' ' 6' ' ' ARG . 20.7 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 p -90.58 176.02 6.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -57.55 -65.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.641 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' NH1' ' OG ' ' A' ' 1' ' ' SER . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG11 HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.704 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' OE1' ' A' ' 14' ' ' GLN . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 11' ' ' ILE . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.928 HD12 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.928 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG12 HG21 ' A' ' 65' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 31' ' ' ASP . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.531 ' HA ' HG22 ' A' ' 54' ' ' ILE . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.722 HG22 ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.987 HD11 HD12 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.987 HD12 HD11 ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.725 HG21 HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.698 HG13 HG11 ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -118.44 164.83 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -125.32 171.29 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.769 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -60.51 -79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.769 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.835 HG21 ' CD1' ' A' ' 69' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.879 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD12 HG22 ' A' ' 65' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' O ' HD23 ' A' ' 15' ' ' LEU . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.737 HD12 HD22 ' A' ' 32' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.847 ' CG1' HG21 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 23' ' ' THR . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 HD12 ' A' ' 15' ' ' LEU . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' OD2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 36' ' ' SER . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 54' ' ' ILE . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.7 ' O ' HG22 ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' C ' HD13 ' A' ' 69' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.835 ' CD1' HG21 ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 HD22 ' A' ' 46' ' ' LEU . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.515 ' NE2' HG13 ' A' ' 3' ' ' ILE . 1.2 pt20 -68.6 -175.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -74.52 171.02 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -46.75 -74.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.735 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 3' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' HG ' ' A' ' 32' ' ' LEU . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.741 ' CG1' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.839 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.139 HG22 ' HB2' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.013 ' HG ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.139 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 43' ' ' VAL . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HB3' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.794 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 63' ' ' THR . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.794 HD12 ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 60' ' ' GLU . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.839 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.558 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.76 78.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 11.9 p -74.95 164.29 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -45.7 -55.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 2' ' ' THR . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 17' ' ' VAL . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.031 HG22 ' HB2' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.538 ' CD2' HD13 ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.031 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.845 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.609 ' HA ' HG23 ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.666 ' O ' HG22 ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 65' ' ' VAL . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.996 HD11 HD21 ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -59.23 133.65 56.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.6 p -85.23 164.84 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 72' ' ' ILE . 1.3 mm -42.79 -80.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.762 ' N ' HG22 ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 3' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.656 HG22 ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.755 HG12 ' O ' ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.702 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.973 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HD13 ' A' ' 15' ' ' LEU . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.779 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 56' ' ' ASP . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 72' ' ' ILE . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' PHE . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' HB3' ' A' ' 50' ' ' PHE . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.846 ' O ' HG13 ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 54' ' ' ILE . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.973 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.749 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.679 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.882 HG22 HD12 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.775 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.422 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -68.42 99.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p -108.4 170.29 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.72 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -54.26 -72.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HZ1' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.629 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.736 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.758 ' OE1' HD12 ' A' ' 42' ' ' LEU . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 17' ' ' VAL . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HD21 ' A' ' 15' ' ' LEU . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 23' ' ' THR . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG11 ' CG2' ' A' ' 11' ' ' ILE . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.706 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.734 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD11 HG21 ' A' ' 17' ' ' VAL . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.748 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.647 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CE2' HG21 ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.634 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' HG23 ' A' ' 63' ' ' THR . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.946 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.946 HD13 ' C ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.836 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.74 -28.06 60.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -123.66 147.6 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.79 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -45.87 -61.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 42' ' ' LEU . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.056 HD22 HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 15' ' ' LEU . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 22' ' ' VAL . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.617 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 17' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' HG12 ' A' ' 65' ' ' VAL . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.024 HG22 ' HB2' ' A' ' 34' ' ' ALA . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.056 HD12 HD22 ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 1.024 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' THR . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 72' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.737 ' HB ' HD12 ' A' ' 46' ' ' LEU . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 26' ' ' ALA . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.848 HG13 HG11 ' A' ' 7' ' ' VAL . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 46' ' ' LEU . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 1.8 pt20 -59.84 135.28 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 p -100.47 178.24 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.795 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -61.86 -68.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 3' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG11 HG13 ' A' ' 69' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.648 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 14' ' ' GLN . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 1.018 ' HG2' HD23 ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD23 ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.585 ' C ' HG13 ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG13 ' C ' ' A' ' 16' ' ' GLY . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 22' ' ' VAL . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.806 ' OD2' ' HB1' ' A' ' 26' ' ' ALA . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.943 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 46' ' ' LEU . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 39' ' ' THR . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.06 ' CD2' HD11 ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.86 HG13 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 54' ' ' ILE . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.794 HG21 ' HB3' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.68 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -121.98 162.62 20.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -122.58 158.07 30.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -78.52 -35.43 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' HG23 ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.529 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 5.9 mm-40 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG12 HG21 ' A' ' 65' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' HA ' HG12 ' A' ' 65' ' ' VAL . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.648 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.715 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.675 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' C ' ' A' ' 28' ' ' PHE . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HB3' ' NE2' ' A' ' 14' ' ' GLN . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.495 ' HB2' HE22 ' A' ' 14' ' ' GLN . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 54' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.791 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.915 ' O ' HG23 ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG21 HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.74 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -18.97 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.736 ' N ' HG22 ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.643 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.472 HE21 HG22 ' A' ' 10' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD11 ' CG ' ' A' ' 38' ' ' ASP . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 32' ' ' LEU . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' A' ' 22' ' ' VAL . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 17' ' ' VAL . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.784 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.747 ' CG ' HD11 ' A' ' 15' ' ' LEU . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 54' ' ' ILE . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.774 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.699 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.725 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.701 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.783 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.049 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.97 HG21 HD11 ' A' ' 32' ' ' LEU . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' HG23 ' A' ' 23' ' ' THR . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' CG2' ' A' ' 11' ' ' ILE . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' GLU . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD12 ' A' ' 15' ' ' LEU . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HB2' HD11 ' A' ' 15' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HB2' HD21 ' A' ' 15' ' ' LEU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.597 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 54' ' ' ILE . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.792 ' O ' HG22 ' A' ' 52' ' ' THR . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.788 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 46' ' ' LEU . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.597 HG21 HD23 ' A' ' 42' ' ' LEU . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 62' ' ' ILE . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.692 HD11 ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.739 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HA ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 HD12 ' A' ' 3' ' ' ILE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.803 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.946 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.791 ' HG2' HD23 ' A' ' 15' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.864 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.864 HG23 HD12 ' A' ' 15' ' ' LEU . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.702 ' H ' HG12 ' A' ' 17' ' ' VAL . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.03 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 15' ' ' LEU . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.03 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' SER . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.855 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.655 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' ILE . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 26' ' ' ALA . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.592 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 66' ' ' GLN . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.456 ' HB3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 68' ' ' ALA . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.803 ' NE2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.799 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.788 HG12 ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.788 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 15' ' ' LEU . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.82 HG23 HD12 ' A' ' 15' ' ' LEU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' THR . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 15' ' ' LEU . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.971 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' THR . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.135 HD22 HD11 ' A' ' 72' ' ' ILE . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.67 ' OE1' HD12 ' A' ' 72' ' ' ILE . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PHE . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.623 ' HB ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 26' ' ' ALA . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.572 HG13 HG11 ' A' ' 7' ' ' VAL . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.135 HD11 HD22 ' A' ' 46' ' ' LEU . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 73' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 3' ' ' ILE . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.668 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.488 ' NE2' HD12 ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.7 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.622 ' HA ' HG12 ' A' ' 22' ' ' VAL . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 34' ' ' ALA . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.86 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.822 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.595 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.939 ' HA ' HG22 ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 54' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.793 HG22 ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.939 HG22 ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 62' ' ' ILE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.549 HG22 HD22 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' HG23 ' A' ' 62' ' ' ILE . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 3' ' ' ILE . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.693 ' HA ' HD13 ' A' ' 3' ' ' ILE . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pt20 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.668 HD11 HE21 ' A' ' 76' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 11' ' ' ILE . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.851 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.457 HG13 HG12 ' A' ' 7' ' ' VAL . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.839 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' HB2' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.581 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HA ' HG22 ' A' ' 54' ' ' ILE . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.851 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.033 HD22 HD11 ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.533 ' O ' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' A' ' 54' ' ' ILE . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 62' ' ' ILE . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' SER . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.033 HD11 HD22 ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.668 HE21 HD11 ' A' ' 3' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.953 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 69' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.982 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.666 HG12 HG21 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.601 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.726 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.601 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 36' ' ' SER . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.982 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 42' ' ' LEU . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.858 HG13 HD13 ' A' ' 46' ' ' LEU . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' GLU . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.666 HG21 HG12 ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.677 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 3' ' ' ILE . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.825 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CG2' HG11 ' A' ' 22' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' C ' HD23 ' A' ' 15' ' ' LEU . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HG ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HG ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HG22 ' A' ' 54' ' ' ILE . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.911 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 43' ' ' VAL . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 HG12 ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.633 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.696 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.569 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.981 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.825 ' NE2' HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.757 HG22 ' N ' ' A' ' 4' ' ' GLU . 1.7 mm . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.757 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLU . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 3' ' ' ILE . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.904 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 15' ' ' LEU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.642 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.653 ' O ' HG12 ' A' ' 22' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.441 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 3.6 p30 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.04 HG22 ' HB2' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.943 HD22 HD11 ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.656 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.844 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.689 ' O ' HD12 ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 65' ' ' VAL . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.943 HD11 HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.537 ' ND2' HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.677 ' CD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.721 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.712 ' OE1' HD12 ' A' ' 42' ' ' LEU . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.61 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' THR . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.491 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.94 HG22 ' HB2' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.94 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.819 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 36' ' ' SER . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.712 HD12 ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 39' ' ' THR . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 52' ' ' THR . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 62' ' ' ILE . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.842 HD12 HD11 ' A' ' 54' ' ' ILE . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.66 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 1.005 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.477 ' NZ ' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.867 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.489 ' OE1' ' HB2' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.67 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.549 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.018 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.809 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' ILE . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 66' ' ' GLN . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HD12 ' A' ' 3' ' ' ILE . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.641 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.698 HG11 HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.704 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' OE1' ' A' ' 14' ' ' GLN . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 11' ' ' ILE . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.928 HD12 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.928 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.725 HG12 HG21 ' A' ' 65' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 31' ' ' ASP . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.531 ' HA ' HG22 ' A' ' 54' ' ' ILE . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.722 HG22 ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.987 HD11 HD12 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.987 HD12 HD11 ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.725 HG21 HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.698 HG13 HG11 ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.769 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.769 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.835 HG21 ' CD1' ' A' ' 69' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.879 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.654 HD12 HG22 ' A' ' 65' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.508 ' O ' HD23 ' A' ' 15' ' ' LEU . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.737 HD12 HD22 ' A' ' 32' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.847 ' CG1' HG21 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 23' ' ' THR . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 HD12 ' A' ' 15' ' ' LEU . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' OD2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 36' ' ' SER . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 54' ' ' ILE . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.545 ' C ' HD13 ' A' ' 69' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.835 ' CD1' HG21 ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 HD22 ' A' ' 46' ' ' LEU . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.735 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 3' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' HG ' ' A' ' 32' ' ' LEU . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.741 ' CG1' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.839 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.139 HG22 ' HB2' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.013 ' HG ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.139 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 43' ' ' VAL . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HB3' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.794 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 63' ' ' THR . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.794 HD12 ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 60' ' ' GLU . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.839 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.558 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pp0? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 17' ' ' VAL . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.031 HG22 ' HB2' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.538 ' CD2' HD13 ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.031 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.845 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.609 ' HA ' HG23 ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 65' ' ' VAL . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.996 HD11 HD21 ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 72' ' ' ILE . 1.3 mm . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.762 ' N ' HG22 ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 3' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.656 HG22 ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.755 ' O ' HG12 ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.702 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.973 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HD13 ' A' ' 15' ' ' LEU . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.779 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 56' ' ' ASP . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 72' ' ' ILE . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' PHE . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' HB3' ' A' ' 50' ' ' PHE . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.846 ' O ' HG13 ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 54' ' ' ILE . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.973 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.749 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.679 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.882 HG22 HD12 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.775 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.422 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.72 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HZ1' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.629 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.736 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.758 ' OE1' HD12 ' A' ' 42' ' ' LEU . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 17' ' ' VAL . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HD21 ' A' ' 15' ' ' LEU . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 23' ' ' THR . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.736 HG11 ' CG2' ' A' ' 11' ' ' ILE . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.706 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.734 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.615 HD11 HG21 ' A' ' 17' ' ' VAL . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.748 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.647 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CE2' HG21 ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.634 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' HG23 ' A' ' 63' ' ' THR . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.946 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.946 HD13 ' C ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.836 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.79 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 42' ' ' LEU . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.056 HD22 HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 15' ' ' LEU . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 22' ' ' VAL . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.617 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 17' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' HG12 ' A' ' 65' ' ' VAL . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.024 HG22 ' HB2' ' A' ' 34' ' ' ALA . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.056 HD12 HD22 ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 1.024 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' THR . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 72' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.737 ' HB ' HD12 ' A' ' 46' ' ' LEU . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 26' ' ' ALA . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.848 HG13 HG11 ' A' ' 7' ' ' VAL . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 46' ' ' LEU . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.795 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 3' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG11 HG13 ' A' ' 69' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.648 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 14' ' ' GLN . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 1.018 ' HG2' HD23 ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.018 HD23 ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.585 ' C ' HG13 ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.585 HG13 ' C ' ' A' ' 16' ' ' GLY . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 22' ' ' VAL . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.806 ' OD2' ' HB1' ' A' ' 26' ' ' ALA . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.623 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.943 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 46' ' ' LEU . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 39' ' ' THR . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.06 ' CD2' HD11 ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.86 HG13 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 54' ' ' ILE . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.794 HG21 ' HB3' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.68 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' HG23 ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.694 HE21 HD12 ' A' ' 42' ' ' LEU . 12.7 mm100 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.511 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.685 HG12 HG21 ' A' ' 65' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' HA ' HG12 ' A' ' 65' ' ' VAL . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.648 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.715 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.675 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' C ' ' A' ' 28' ' ' PHE . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 HE21 ' A' ' 14' ' ' GLN . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 54' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.791 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.915 ' O ' HG23 ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.685 HG21 HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.74 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.426 ' N ' ' HB2' ' A' ' 5' ' ' GLU . 41.3 p -61.26 177.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.385 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.829 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -50.39 -74.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.736 ' N ' HG22 ' A' ' 3' ' ' ILE . 13.0 tt0 -44.99 -34.33 2.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.426 ' HB2' ' N ' ' A' ' 2' ' ' THR . 0.9 OUTLIER -52.63 -79.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -46.93 -39.57 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.829 HG23 ' O ' ' A' ' 3' ' ' ILE . 94.2 t -50.39 -69.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' CD ' ' HG3' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -41.58 -50.35 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -48.63 -64.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.643 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.7 mm -45.05 -56.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.6 mt -50.66 -37.71 15.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.12 -17.85 70.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -25.91 16.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 0.734 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 HE21 HG22 ' A' ' 10' ' ' ILE . 64.7 mt-30 -59.19 -38.38 79.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD11 ' CG ' ' A' ' 38' ' ' ASP . 57.3 mt -120.3 -67.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.37 51.1 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.733 HG11 HD21 ' A' ' 32' ' ' LEU . 17.5 m -108.4 -179.99 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.56 -151.68 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.481 ' HA ' HG12 ' A' ' 22' ' ' VAL . 15.7 pt20 -98.83 -38.31 9.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 19' ' ' GLN . 1.8 tt0 -72.69 -16.44 61.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.33 -13.06 18.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.756 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -124.11 34.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 70.6 p -37.55 155.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 66' ' ' GLN . 0.7 OUTLIER -42.98 -59.66 1.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -89.22 43.88 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -74.16 161.58 29.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.92 -173.08 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.629 ' CD1' ' O ' ' A' ' 63' ' ' THR . 1.7 m-85 -133.11 -62.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 34' ' ' ALA . 46.3 t -66.69 -21.7 28.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.95 -17.92 13.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.249 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -97.59 -65.98 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD21 HG11 ' A' ' 17' ' ' VAL . 3.0 mm? -105.12 29.3 6.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 44.48 23.63 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 110.948 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.04 100.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' ASP . 40.7 m-20 -105.03 135.53 46.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.784 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -49.92 -42.8 49.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 11.0 mt -60.55 -24.7 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.747 ' CG ' HD11 ' A' ' 15' ' ' LEU . 1.5 t0 -74.24 -56.33 5.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -61.45 -27.94 68.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 36' ' ' SER . 81.4 t -82.03 -43.48 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 4.7 mm-40 -61.97 -23.03 66.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.275 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.622 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.01 -27.96 57.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 ' O ' ' A' ' 54' ' ' ILE . 48.1 t -80.5 -24.59 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 37.7 mtt -95.54 -41.91 8.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -55.98 -50.37 70.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.727 ' HB3' HG22 ' A' ' 52' ' ' THR . 4.2 mt -67.11 -30.85 70.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -70.56 -42.26 71.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -13.78 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -84.55 -71.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.6 m-85 -129.19 29.26 5.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 50' ' ' PHE . 20.7 t70 40.0 64.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -111.12 -18.36 13.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.5 pt-20 41.07 86.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.774 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -73.21 131.19 83.52 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.699 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -168.21 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.478 1.778 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.36 -15.27 18.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' A' ' 58' ' ' GLU . 12.0 pt-20 -80.18 -50.43 10.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.108 . . . . 0.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.435 ' N ' ' CG ' ' A' ' 57' ' ' GLU . 0.5 OUTLIER -76.38 -16.41 59.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -76.07 -30.27 58.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -50.8 72.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.71 1.49 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.686 HG22 ' O ' ' A' ' 62' ' ' ILE . 78.6 mt -123.87 17.14 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.629 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.3 t -53.24 -45.04 68.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' O ' ' A' ' 63' ' ' THR . 20.8 p -53.1 -169.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.429 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 97.0 t -103.42 -51.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tp60 -52.93 -24.61 9.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -70.4 -23.38 62.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -89.8 5.36 46.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.499 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.7 mp -112.49 -33.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -76.54 -33.52 58.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.38 -36.33 53.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.78 HG22 ' CD1' ' A' ' 3' ' ' ILE . 21.7 mm -75.43 -34.45 30.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -28.06 7.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.67 -17.8 9.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.13 -37.93 78.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.61 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.586 HE21 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -74.36 -56.34 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.546 ' H2 ' ' HG2' ' A' ' 5' ' ' GLU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.4 p -89.41 164.34 14.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.725 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -46.87 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 15.6 tt0 -46.21 -51.9 13.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.546 ' HG2' ' H2 ' ' A' ' 1' ' ' SER . 4.0 tt0 -37.78 -55.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -60.15 -44.52 94.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.715 HG21 HG13 ' A' ' 69' ' ' ILE . 89.1 t -53.19 -66.67 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -42.9 -46.72 5.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -52.06 -64.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.701 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.7 mm -53.03 -47.82 53.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.783 ' CG2' HG11 ' A' ' 22' ' ' VAL . 3.1 mm -50.86 -36.36 15.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -69.02 -16.99 71.28 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.518 1.137 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.97 -33.49 11.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -47.04 -26.98 1.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.049 HD12 HD13 ' A' ' 32' ' ' LEU . 16.3 mt -150.28 21.69 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 12' ' ' GLY . . . 55.32 29.19 52.38 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.574 1.171 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.97 HG21 HD11 ' A' ' 32' ' ' LEU . 18.3 t -75.48 170.8 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.78 -145.14 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -108.25 -45.33 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.571 ' O ' HG23 ' A' ' 23' ' ' THR . 3.0 mt-10 -64.5 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' OD2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -83.04 -13.74 55.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.783 HG11 ' CG2' ' A' ' 11' ' ' ILE . 67.1 t -136.28 43.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 20' ' ' GLU . 35.7 p -50.9 -175.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -84.87 48.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 165.51 42.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.02 162.06 13.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.84 -174.96 3.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.5 OUTLIER -116.71 -55.99 2.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.978 HG22 ' HB2' ' A' ' 34' ' ' ALA . 3.2 t -80.35 -20.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -10.23 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' A' ' 21' ' ' GLU . 14.7 t0 -120.85 -72.78 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD12 ' A' ' 15' ' ' LEU . 13.3 mt -90.29 24.54 2.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.85 29.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.978 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.45 91.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.6 ' HB2' HD11 ' A' ' 15' ' ' LEU . 26.5 m-20 -103.13 136.62 42.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.771 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -50.79 -27.05 6.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.686 ' HB2' HD21 ' A' ' 15' ' ' LEU . 54.8 mt -68.82 -39.02 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 -48.2 64.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.4 m -63.01 -37.17 86.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.144 . . . . 0.0 110.425 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 36' ' ' SER . 84.3 t -78.09 -41.07 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.504 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.8 mm-40 -62.51 -22.65 66.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.597 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.64 -26.14 50.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.541 ' HA ' HG22 ' A' ' 54' ' ' ILE . 53.3 t -82.34 -24.8 9.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mmt -97.47 -40.5 8.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.955 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.31 -47.46 85.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.792 ' O ' HG22 ' A' ' 52' ' ' THR . 13.9 mt -70.27 -23.73 62.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.91 -44.4 22.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -13.86 60.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.258 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HG2' ' CE2' ' A' ' 50' ' ' PHE . 2.3 tp10 -67.74 -72.03 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.788 ' CE1' HG21 ' A' ' 52' ' ' THR . 0.4 OUTLIER -147.01 31.96 0.93 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.948 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.6 84.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.792 HG22 ' O ' ' A' ' 46' ' ' LEU . 10.2 t -155.34 50.21 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.412 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' THR . 14.4 pt-20 -36.46 126.97 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.284 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.597 HG21 HD23 ' A' ' 42' ' ' LEU . 14.0 tt -99.61 140.31 21.51 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.0 -170.66 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.492 1.785 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.4 -20.33 20.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.76 -40.6 65.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.545 ' CD ' ' CZ ' ' A' ' 71' ' ' TYR . 3.4 mt-10 -61.52 -48.13 82.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HA ' HG22 ' A' ' 62' ' ' ILE . . . -40.16 -40.83 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -53.63 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -16.14 62.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.692 HD11 ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -94.53 7.98 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 1.4 t -43.7 -26.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 30.4 p -90.09 -154.84 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.77 HG21 HG13 ' A' ' 22' ' ' VAL . 21.1 t -115.94 -53.65 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.739 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.3 tp60 -61.04 -13.47 16.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.432 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.24 -25.36 60.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.692 ' HA ' HD11 ' A' ' 62' ' ' ILE . . . -86.06 6.9 26.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.739 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.3 mp -112.26 -38.56 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -33.91 74.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.545 ' CZ ' ' CD ' ' A' ' 58' ' ' GLU . 1.7 t80 -80.46 -36.62 33.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.642 HG22 HD12 ' A' ' 3' ' ' ILE . 20.8 mm -75.84 -33.88 26.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.5 OUTLIER -47.61 -30.36 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -45.55 -23.95 1.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.637 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -55.32 -65.19 0.63 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -67.07 142.93 56.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.241 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 2' ' ' THR . 88.2 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.442 ' O ' ' O ' ' A' ' 1' ' ' SER . 18.5 p 51.88 171.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.803 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -82.4 -46.86 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.507 ' HB2' HG23 ' A' ' 69' ' ' ILE . 1.4 tm-20 -38.9 -37.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.74 -47.6 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mtt180 -78.47 -23.87 46.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 11' ' ' ILE . 57.6 t -64.56 -60.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -33.92 26.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.085 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -66.53 -64.59 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.946 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.68 -43.86 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.831 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.2 mp -61.69 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.09 -35.28 83.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -33.67 22.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 0.788 . . . . 0.0 110.302 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.791 ' HG2' HD23 ' A' ' 15' ' ' LEU . 8.8 tt0 -51.43 -23.22 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.258 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.864 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -137.07 -77.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.437 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 141.66 77.98 0.05 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.453 1.096 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.864 HG23 HD12 ' A' ' 15' ' ' LEU . 2.3 t -151.18 -179.57 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.265 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.702 ' H ' HG12 ' A' ' 17' ' ' VAL . 24.3 tttt -88.88 -147.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -107.58 -46.73 3.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.268 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -62.72 -23.1 66.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.88 -14.39 36.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 23' ' ' THR . 9.6 t -127.88 36.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 22' ' ' VAL . 1.2 p -40.15 161.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.36 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 38.1 p30 -69.46 79.3 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 166.07 -28.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.655 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.43 144.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -167.07 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.455 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.7 m-85 -128.38 -54.7 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.03 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.6 t -72.49 -19.16 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -103.19 -22.37 13.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -100.95 -71.51 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 15' ' ' LEU . 2.4 mm? -92.03 27.36 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.74 29.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.03 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 48.69 86.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.291 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -93.93 161.34 14.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -66.82 -56.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -52.11 -29.07 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -56.23 7.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.5 m -64.6 -19.59 65.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.377 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 36' ' ' SER . 84.5 t -89.61 -44.11 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 1.4 mm-40 -64.26 -23.44 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.364 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' N ' ' OE1' ' A' ' 14' ' ' GLN . 3.1 tt -76.31 -32.72 58.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.855 HG13 ' O ' ' A' ' 54' ' ' ILE . 21.1 t -78.54 -27.48 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.08 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.45 -40.91 12.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -52.33 -50.91 61.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.69 ' HB3' HG22 ' A' ' 52' ' ' THR . 45.2 mt -67.31 -37.56 83.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -63.02 -38.52 91.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 -14.05 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.33 -69.56 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -131.65 22.97 4.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 48.75 69.84 0.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -113.67 -21.05 10.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.399 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.454 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.7 pt-20 41.24 92.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.855 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -78.85 136.8 58.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.655 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.84 -16.1 24.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -57.45 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.61 -16.41 15.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.05 95.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -55.87 -46.35 78.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.79 -1.35 27.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 62' ' ' ILE . 24.2 mt -133.42 33.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -86.51 30.95 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.392 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.695 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 27.7 p -130.6 -174.7 3.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.655 HG21 ' HB3' ' A' ' 26' ' ' ALA . 94.0 t -97.3 -36.88 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.592 ' HA ' HD12 ' A' ' 69' ' ' ILE . 3.3 tp60 -77.38 -9.65 58.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.695 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.87 -33.81 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 72' ' ' ILE . . . -83.5 6.27 20.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 66' ' ' GLN . 32.4 mt -114.94 -19.97 6.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -95.13 -42.45 8.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.456 ' HB3' HD12 ' A' ' 72' ' ' ILE . 0.7 OUTLIER -74.45 -33.67 62.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.663 HD13 ' HA ' ' A' ' 68' ' ' ALA . 2.2 mp -79.27 -33.75 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -46.38 -29.92 1.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.86 -17.68 9.85 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -63.73 -35.32 80.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 109.597 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.803 ' NE2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -47.12 127.1 10.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.271 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.432 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 72.0 p -70.82 171.36 10.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.799 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -51.53 -72.01 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.725 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.23 -40.1 58.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.432 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 5.1 tt0 -50.77 -44.63 58.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.3 mtt180 -75.63 -35.64 60.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.788 HG12 ' CD1' ' A' ' 11' ' ' ILE . 61.6 t -58.39 -61.7 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -38.03 13.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.77 -64.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.89 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.7 mm -47.51 -48.81 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.788 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.1 mp -56.5 -43.52 78.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.133 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -53.23 -30.69 40.24 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.422 ' C ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -83.57 -48.99 9.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 0.744 . . . . 0.0 110.328 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HB2' HD23 ' A' ' 15' ' ' LEU . 30.4 mt-30 -40.42 -28.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -125.31 -89.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.52 43.26 0.02 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.82 HG23 HD12 ' A' ' 15' ' ' LEU . 21.8 t -118.81 169.53 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' N ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -85.24 -145.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.271 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.559 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.0 OUTLIER -106.87 -46.15 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 23' ' ' THR . 2.2 tt0 -64.61 -25.33 67.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 0.3 OUTLIER -90.15 -13.77 34.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.757 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -124.8 34.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.9 p -37.53 154.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.383 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -65.5 77.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 26' ' ' ALA . 13.2 t30 173.86 -32.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.48 138.09 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -170.09 2.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.1 m-85 -125.61 -59.33 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.971 HG22 ' HB2' ' A' ' 34' ' ' ALA . 22.7 t -72.35 -20.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -105.14 -26.99 11.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 110.255 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.54 -67.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 HD21 HD13 ' A' ' 15' ' ' LEU . 4.4 mm? -91.36 24.93 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.72 29.73 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.971 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 47.55 85.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.759 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' ASP . 26.8 m-20 -96.13 131.58 42.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.76 -46.64 10.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.009 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.63 -37.2 72.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.1 OUTLIER -70.23 -51.67 29.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 17.3 m -62.87 -29.81 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 t -82.11 -44.35 19.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.69 -23.28 66.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -76.02 -31.11 58.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' THR . 21.3 t -79.38 -26.65 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.0 mtt -90.77 -40.88 11.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.89 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.68 -47.66 83.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.135 HD22 HD11 ' A' ' 72' ' ' ILE . 19.9 mt -68.68 -29.66 68.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -71.55 -45.69 61.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 -13.19 60.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.67 ' OE1' HD12 ' A' ' 72' ' ' ILE . 1.3 tt0 -85.15 -71.08 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.3 m-85 -128.31 27.59 5.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PHE . 8.1 t70 38.13 63.98 0.76 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 46' ' ' LEU . 9.5 t -110.53 -15.49 13.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' CG ' ' C ' ' A' ' 52' ' ' THR . 5.5 pt-20 39.73 91.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.623 ' HB ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -68.91 133.15 90.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.248 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.99 -162.99 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.42 -15.07 18.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.82 -62.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.4 mt-10 -60.0 -14.88 18.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -49.69 69.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.86 -42.83 68.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 1.38 16.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 71' ' ' TYR . 64.9 mt -129.41 31.25 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.631 HG23 ' HA ' ' A' ' 60' ' ' GLU . 3.0 p -82.27 31.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.649 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.7 p -137.95 172.95 12.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.369 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 26' ' ' ALA . 58.2 t -81.39 -62.7 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -52.63 -19.87 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.649 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.06 -31.41 69.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.32 2.56 46.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.572 HG13 HG11 ' A' ' 7' ' ' VAL . 1.4 mp -110.24 -25.76 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -85.32 -34.9 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.722 ' CE2' HD11 ' A' ' 62' ' ' ILE . 0.6 OUTLIER -76.59 -35.87 57.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.135 HD11 HD22 ' A' ' 46' ' ' LEU . 18.4 mm -75.75 -34.32 28.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 0.4 OUTLIER -51.12 -27.15 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.32 -18.22 9.45 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -57.1 -58.32 8.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.578 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -70.39 148.07 48.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 109.273 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.7 p -56.04 162.71 1.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.6 OUTLIER -78.43 -49.5 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 26.2 tt0 -38.01 -51.72 1.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.17 -54.01 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -71.25 -34.65 70.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 3' ' ' ILE . 21.5 t -61.19 -61.97 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.01 -43.86 30.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -54.6 -64.69 0.75 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.668 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.2 mm -51.2 -51.75 21.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 mm -45.62 -34.97 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.22 -35.72 63.88 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.112 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.79 -27.73 58.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 110.301 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.488 ' NE2' HD12 ' A' ' 42' ' ' LEU . 36.3 mt-30 -58.28 -19.24 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.624 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -149.97 -67.65 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 132.94 81.22 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.4 t -134.53 -179.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.7 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.7 tttm -99.41 -148.16 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.622 ' HA ' HG12 ' A' ' 22' ' ' VAL . 6.3 mt-30 -102.06 -48.43 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' O ' HG23 ' A' ' 23' ' ' THR . 2.7 tt0 -61.51 -28.65 69.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HB3' ' CG1' ' A' ' 17' ' ' VAL . 1.7 mt-10 -85.96 -13.48 47.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.86 HG23 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -124.72 36.32 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.67 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 71.9 p -39.11 160.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 27.6 p30 -82.5 49.34 1.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t30 169.03 40.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -118.75 155.59 30.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' N ' ' HB2' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -58.78 179.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CE1' ' O ' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -88.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 34' ' ' ALA . 8.6 t -104.01 -19.19 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -9.35 59.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB1' ' A' ' 26' ' ' ALA . 2.5 m-20 -145.4 -52.38 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.86 HD13 HG23 ' A' ' 22' ' ' VAL . 4.4 tp -84.22 7.72 18.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' ' 29' ' ' VAL . . . 35.45 32.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.822 ' O ' HG22 ' A' ' 29' ' ' VAL . . . -65.22 74.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 33' ' ' GLY . 12.4 p-10 -49.77 177.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.12 -46.2 22.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 75.2 mt -51.25 -54.12 28.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.595 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 9.8 t70 -56.73 -45.75 81.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.6 m -58.23 -46.15 86.43 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.361 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.2 t -68.18 -39.32 81.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.53 -18.51 52.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.521 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.87 -30.09 56.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.939 ' HA ' HG22 ' A' ' 54' ' ' ILE . 18.2 t -80.99 -24.63 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 64.7 mtt -87.68 -44.94 10.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.668 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -53.34 -48.36 68.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.905 ' CD1' HD12 ' A' ' 54' ' ' ILE . 37.7 mt -69.42 -23.92 63.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -80.68 -31.12 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -98.12 -12.47 21.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.7 tm-20 -90.59 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -126.15 18.1 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 8.3 t70 38.59 63.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.793 HG22 ' HB3' ' A' ' 46' ' ' LEU . 3.7 t -117.12 -11.66 10.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 0.0 110.394 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 3.2 pt-20 41.02 94.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.939 HG22 ' HA ' ' A' ' 43' ' ' VAL . 7.0 tt -65.53 138.58 96.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.95 -173.42 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.17 -17.05 25.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.45 -52.79 7.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.413 ' O ' HD12 ' A' ' 62' ' ' ILE . 3.6 mt-10 -56.12 -34.48 66.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.41 -52.8 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -65.11 -37.38 87.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -73.1 -5.45 39.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 62' ' ' ILE . 18.2 mt -118.3 24.37 4.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 t -46.53 -23.7 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.549 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 15.1 p -95.29 163.68 13.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.428 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.549 HG22 HD22 ' A' ' 32' ' ' LEU . 54.1 t -81.06 -45.7 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 1.5 tp60 -61.09 -12.75 13.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' HB3' HG23 ' A' ' 62' ' ' ILE . . . -70.79 -33.55 70.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -84.48 7.63 19.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.4 mp -115.93 -20.26 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.26 -40.46 9.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' CE2' ' CD ' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -76.29 -42.55 45.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.998 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 3' ' ' ILE . 4.2 mm -68.13 -33.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.693 ' HA ' HD13 ' A' ' 3' ' ' ILE . 1.1 t-20 -49.76 -23.17 1.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -42.06 -26.26 0.31 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.1 OUTLIER -58.2 -39.61 79.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.589 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pt20 -38.29 136.47 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -96.6 158.4 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.668 HD11 HE21 ' A' ' 76' ' ' GLN . 0.7 OUTLIER -78.66 -32.44 16.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -38.5 -50.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.17 -55.02 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.261 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -67.59 -41.07 84.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG13 ' A' ' 11' ' ' ILE . 91.0 t -49.11 -59.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.68 -43.51 37.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -64.44 0.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.851 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.3 mm -53.52 -49.61 54.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.457 HG13 HG12 ' A' ' 7' ' ' VAL . 3.0 mm -43.72 -50.54 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.49 -35.27 44.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.104 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -76.86 -40.73 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.331 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -51.69 -21.2 2.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -141.24 -84.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 130.78 81.75 0.24 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.46 1.1 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.839 HG23 HD12 ' A' ' 15' ' ' LEU . 1.4 t -150.01 -178.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 0.757 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.8 tttt -80.0 -147.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 22' ' ' VAL . 1.9 mt-30 -108.38 -46.35 3.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -65.46 -15.08 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -13.87 20.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -125.01 35.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 37.1 p -53.65 -169.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -72.12 -41.02 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -72.02 -8.79 56.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 23' ' ' THR . . . -60.08 126.07 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 3.2 m -111.4 -174.18 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.473 ' O ' ' N ' ' A' ' 33' ' ' GLY . 86.5 m-85 -107.25 -51.5 2.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.975 HG22 ' HB2' ' A' ' 34' ' ' ALA . 7.4 t -78.0 -19.57 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -93.72 -9.88 36.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 55.5 t0 -124.14 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 32' ' ' LEU . 9.7 mt -89.46 24.94 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 36.97 29.84 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.567 1.167 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.975 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 62.86 118.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -123.49 159.27 29.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -66.4 -54.04 28.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 0.0 110.054 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 28.6 mt -56.88 -23.64 46.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.23 -56.67 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.581 ' O ' HG23 ' A' ' 43' ' ' VAL . 20.5 m -63.76 -22.74 67.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 t -86.63 -42.76 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.6 mm-40 -62.16 -24.02 66.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -75.26 -32.88 61.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.683 ' HA ' HG22 ' A' ' 54' ' ' ILE . 21.7 t -79.9 -25.37 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.355 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mmt -91.92 -37.88 12.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.851 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -64.3 -48.06 77.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.033 HD22 HD11 ' A' ' 72' ' ' ILE . 54.4 mt -68.88 -23.65 64.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -78.88 -53.18 7.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.2 -12.74 30.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -83.42 -71.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -119.58 -2.89 10.42 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' GLU . 9.1 t0 62.96 83.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.428 ' O ' ' CB ' ' A' ' 53' ' ' GLU . 12.0 t -130.84 -42.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.405 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' CG ' ' CD ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER 80.49 81.94 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -61.71 134.49 93.91 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.533 ' O ' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.06 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.43 -22.3 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.77 -50.27 15.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.541 ' HB3' HD11 ' A' ' 54' ' ' ILE . 2.6 mt-10 -61.65 -14.27 29.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.6 -49.06 74.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -39.8 71.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -1.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.543 HG22 ' O ' ' A' ' 62' ' ' ILE . 19.0 mt -132.11 32.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' SER . 2.9 t -75.64 3.0 10.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.36 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.496 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 13.2 p -111.14 -149.68 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.376 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.6 t -117.94 -56.62 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -65.31 -10.36 32.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.496 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.82 -31.02 63.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.2 7.77 20.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.47 -36.27 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.0 -31.2 69.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.526 ' CZ ' ' OE1' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -80.17 -35.03 37.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 110.981 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.033 HD11 HD22 ' A' ' 46' ' ' LEU . 22.1 mm -76.41 -34.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -51.82 -24.63 6.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.35 -18.09 9.32 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -57.44 -54.15 50.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 109.596 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.668 HE21 HD11 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -120.26 165.29 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 82.3 p -120.09 173.02 7.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.377 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.953 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -62.64 -72.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -42.15 -38.15 1.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -53.81 -51.49 63.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -70.14 -34.66 73.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.677 HG11 ' CD1' ' A' ' 69' ' ' ILE . 92.6 t -53.68 -62.47 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -39.09 14.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.88 -64.67 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.982 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -48.26 -45.38 13.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CD1' HG12 ' A' ' 7' ' ' VAL . 2.0 mt -62.41 -39.06 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.79 -14.11 49.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.37 -39.26 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 110.313 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' NE2' ' OD1' ' A' ' 38' ' ' ASP . 5.0 pt20 -60.65 -26.13 66.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 32' ' ' LEU . 3.0 mt -113.35 -30.95 6.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.0 27.69 22.93 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -106.2 -177.51 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -92.86 -145.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -109.59 -42.4 4.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.37 -12.22 60.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.09 -14.22 20.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.666 HG12 HG21 ' A' ' 65' ' ' VAL . 28.5 t -134.95 40.84 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.59 161.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.403 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.407 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 7.0 p-10 -66.65 75.9 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.6 p-10 164.72 -29.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.601 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -39.65 127.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.435 ' CB ' ' HB2' ' A' ' 31' ' ' ASP . 2.0 m -65.66 -171.98 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.608 ' CE1' ' O ' ' A' ' 63' ' ' THR . 5.1 m-85 -132.18 -39.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.726 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 97.7 t -48.66 -73.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -93.6 -42.65 9.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.601 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -38.7 -33.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.085 HD22 HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -144.47 32.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 29' ' ' VAL . . . 42.62 24.81 0.26 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.506 1.128 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.726 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 36.53 89.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 0.767 . . . . 0.0 109.307 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 18.1 m-20 -91.52 134.73 34.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 40' ' ' VAL . 2.2 m -44.99 -56.33 4.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.0 mt -44.17 -28.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.572 ' OD2' ' CD2' ' A' ' 28' ' ' PHE . 12.7 t0 -69.42 -64.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.585 ' O ' HG23 ' A' ' 43' ' ' VAL . 16.3 m -56.45 -21.41 25.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.362 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 36' ' ' SER . 99.4 t -87.12 -51.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . 2.4 mt-10 -62.55 -20.92 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.968 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -73.02 -35.44 66.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.848 HG13 ' O ' ' A' ' 54' ' ' ILE . 40.1 t -73.35 -24.89 20.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.62 -46.52 7.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.982 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -48.89 -50.5 34.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 ' O ' ' A' ' 42' ' ' LEU . 1.1 mt -66.75 -33.97 76.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.148 . . . . 0.0 109.355 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.23 -48.39 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.59 -13.2 62.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.07 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.581 1.176 . . . . 0.0 110.294 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.428 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -136.01 29.64 3.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.0 t70 37.76 60.44 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -102.48 -15.21 16.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 38.49 85.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.858 HG13 HD13 ' A' ' 46' ' ' LEU . 1.2 mm -72.6 135.37 81.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.631 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.05 -166.16 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -14.58 19.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -83.68 -62.83 1.48 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.1 -17.15 63.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.631 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.09 -40.38 82.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.884 ' O ' HG23 ' A' ' 63' ' ' THR . 4.7 tt0 -60.54 -39.08 86.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.65 4.3 33.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 62' ' ' ILE . 96.2 mt -128.12 19.19 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 60' ' ' GLU . 45.1 p -58.1 -61.45 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.492 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -41.62 157.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.666 HG21 HG12 ' A' ' 22' ' ' VAL . 9.7 t -70.16 -58.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -50.41 -20.77 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.235 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.28 -32.0 70.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 4.82 34.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.677 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.6 mp -111.4 -28.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -43.44 17.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -72.36 -31.31 65.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.953 HG22 HD12 ' A' ' 3' ' ' ILE . 13.6 mm -79.32 -34.03 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.7 OUTLIER -48.83 -31.67 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.093 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -44.83 -24.42 0.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' ND1' ' C ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -50.55 -56.7 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.587 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.17 130.31 42.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -71.3 157.1 38.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.825 HD11 ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -77.26 -35.38 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.475 ' CG ' HG12 ' A' ' 69' ' ' ILE . 13.3 tt0 -37.76 -31.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.309 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 3' ' ' ILE . 1.7 tt0 -51.37 -56.11 14.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptm85 -72.33 -22.87 61.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.622 HG12 ' CD1' ' A' ' 11' ' ' ILE . 59.1 t -64.36 -63.17 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.94 -47.34 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -53.87 -64.27 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.911 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.6 mm -45.88 -53.32 2.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 ' CG2' HG11 ' A' ' 22' ' ' VAL . 1.4 mt -52.05 -39.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.07 -26.9 59.15 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.44 -41.43 13.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 0.771 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' C ' HD23 ' A' ' 15' ' ' LEU . 33.4 mt-30 -52.64 -32.67 43.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.612 HD13 ' HG ' ' A' ' 32' ' ' LEU . 0.8 OUTLIER -110.27 -70.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.87 44.07 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -125.56 -179.22 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -143.82 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.8 -45.46 4.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' HG23 ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.74 -22.87 66.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -83.16 -14.35 53.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG11 ' CG2' ' A' ' 11' ' ' ILE . 19.5 t -130.24 37.98 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.7 p -39.61 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' HB2' ' NE2' ' A' ' 66' ' ' GLN . 22.4 p-10 -70.67 79.49 0.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER 165.79 -27.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -37.9 155.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.3 -168.53 1.6 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' GLY . 3.4 m-85 -128.06 -56.75 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' ' 34' ' ' ALA . 38.5 t -70.84 -22.36 23.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.96 -11.17 15.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 27' ' ' SER . 13.7 t0 -105.14 -65.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HG ' HD13 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -104.65 26.06 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 46.78 22.28 1.09 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 45.59 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -107.18 149.24 27.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -47.76 -45.9 29.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.939 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.4 mt -58.8 -32.96 69.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.31 -52.06 15.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.9 m -69.73 -15.48 63.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.419 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 36' ' ' SER . 47.0 t -94.02 -40.48 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -65.41 -18.82 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.94 -26.79 36.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.791 ' HA ' HG22 ' A' ' 54' ' ' ILE . 13.0 t -84.44 -25.89 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 3.5 mmt -92.29 -36.89 12.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.911 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -62.86 -50.01 72.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.981 HD21 HD11 ' A' ' 72' ' ' ILE . 27.8 mt -68.45 -22.16 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.425 1.078 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -42.48 21.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -12.86 59.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.243 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -80.8 -73.22 0.38 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.638 ' CG ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t80 -126.33 8.3 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER 63.71 86.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.538 ' O ' ' C ' ' A' ' 53' ' ' GLU . 8.4 t -151.98 56.01 0.84 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.435 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 52' ' ' THR . 4.5 pt-20 -27.54 114.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.791 HG22 ' HA ' ' A' ' 43' ' ' VAL . 18.6 tt -98.84 134.19 21.75 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.25 10.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.549 1.816 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.76 -18.36 40.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.06 -44.22 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.96 -16.59 61.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -69.7 -31.62 69.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -56.63 -60.69 3.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.46 ' CE ' HG13 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -69.54 -5.87 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 62' ' ' ILE . 79.1 mt -123.8 29.02 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 59' ' ' ALA . 14.6 t -85.44 31.69 0.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.633 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 8.5 p -129.21 -169.9 2.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG21 HG12 ' A' ' 22' ' ' VAL . 17.4 t -96.78 -56.52 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -59.12 -16.23 18.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.633 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.53 -30.33 65.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.696 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -84.41 6.85 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.569 ' CD1' HG11 ' A' ' 7' ' ' VAL . 2.5 mp -112.63 -27.81 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -44.08 13.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -72.7 -27.54 62.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.981 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -83.13 -33.49 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.566 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -50.98 -23.06 2.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.62 -7.85 36.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.464 1.103 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -66.39 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 0.788 . . . . 0.0 109.64 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.825 ' NE2' HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -48.91 143.37 5.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.258 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.415 ' HB2' ' CG ' ' A' ' 6' ' ' ARG . 69.1 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.413 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 37.5 p -76.77 168.32 20.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.757 HG22 ' N ' ' A' ' 4' ' ' GLU . 1.7 mm -41.57 -79.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.757 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.8 tt0 -46.12 -52.39 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 2' ' ' THR . 4.6 tt0 -37.72 -62.97 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.256 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' CG ' ' HB2' ' A' ' 1' ' ' SER . 6.4 mtt180 -54.7 -46.2 74.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 3' ' ' ILE . 43.7 t -51.58 -68.59 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -40.34 -43.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.244 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -64.69 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -48.15 -41.72 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 mm -54.4 -43.52 63.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.14 -35.15 41.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.96 -39.86 61.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 0.741 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.534 ' NE2' ' CB ' ' A' ' 45' ' ' ALA . 23.2 mt-30 -55.18 -22.23 16.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.904 HD12 HG23 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.55 -92.45 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.33 43.14 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.485 1.115 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.904 HG23 HD12 ' A' ' 15' ' ' LEU . 3.3 t -121.8 175.83 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.642 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -85.94 -143.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -111.45 -37.84 5.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 23' ' ' THR . 0.0 OUTLIER -72.31 -28.18 62.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' HB3' HG11 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -81.6 -13.84 57.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.653 ' O ' HG12 ' A' ' 22' ' ' VAL . 88.0 t -133.59 40.1 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 20' ' ' GLU . 1.5 p -39.14 159.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.441 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . 3.6 p30 -66.02 76.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.8 OUTLIER 171.68 -32.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 25' ' ' ASN . . . -39.03 155.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.11 -171.55 2.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.982 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 33' ' ' GLY . 4.0 m-85 -126.25 -50.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.04 HG22 ' HB2' ' A' ' 34' ' ' ALA . 35.6 t -75.04 -20.73 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.13 -16.56 16.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -107.96 -70.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ALA . 1.7 mm? -92.17 26.64 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.27 29.38 0.06 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.04 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 46.18 79.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -84.3 161.51 20.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -68.49 -48.24 64.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.52 -34.39 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -52.73 17.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 9.6 m -65.3 -27.04 68.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.7 t -83.61 -40.89 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -62.67 -19.08 63.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -28.33 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 54' ' ' ILE . 17.7 t -83.25 -23.98 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 45.0 mtt -95.86 -38.93 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.534 ' CB ' ' NE2' ' A' ' 14' ' ' GLN . . . -58.76 -47.95 82.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.943 HD22 HD11 ' A' ' 72' ' ' ILE . 20.4 mt -68.13 -33.56 74.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -66.78 -50.13 63.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -13.26 61.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' OE1' HD12 ' A' ' 72' ' ' ILE . 0.6 OUTLIER -86.71 -66.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.507 ' CZ ' ' ND1' ' A' ' 75' ' ' HIS . 1.8 m-85 -132.76 28.52 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.9 t0 38.14 63.16 0.86 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.71 -18.44 14.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 40.98 91.97 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 110.342 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.844 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -80.95 137.15 50.14 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.63 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -75.02 -165.39 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.99 -15.09 19.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -83.52 -37.88 22.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' HB3' HD12 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -81.25 -14.82 57.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.311 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.1 -44.17 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HA ' HG23 ' A' ' 63' ' ' THR . 0.9 OUTLIER -53.75 -42.32 68.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.93 2.86 16.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.733 HG22 ' O ' ' A' ' 62' ' ' ILE . 68.3 mt -130.83 31.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.59 HG23 ' HA ' ' A' ' 60' ' ' GLU . 8.5 p -79.77 18.93 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.369 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 46.4 p -119.93 -157.69 0.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.689 ' O ' HD12 ' A' ' 69' ' ' ILE . 73.9 t -111.78 -51.14 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.8 -13.56 24.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.88 -31.86 63.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.04 2.1 52.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 65' ' ' VAL . 2.4 mp -112.23 -23.92 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -88.77 -25.64 22.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -82.03 -43.8 17.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.943 HD11 HD22 ' A' ' 46' ' ' LEU . 23.8 mm -68.75 -34.19 63.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.537 ' ND2' HG21 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -54.08 -20.01 5.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.56 -3.78 67.9 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.677 ' CD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -89.72 -62.62 1.43 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 0.757 . . . . 0.0 109.588 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 39.46 -162.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.336 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.8 p -89.31 170.74 10.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.466 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.721 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -52.4 -73.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.721 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.7 tm-20 -44.04 -50.56 8.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -39.5 -47.18 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -73.23 -41.35 63.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.265 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 3' ' ' ILE . 45.2 t -56.43 -61.13 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -41.72 15.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -63.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 3.1 mm -48.43 -46.45 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.3 mm -47.49 -48.36 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.64 -35.29 11.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.17 -43.13 54.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.712 ' OE1' HD12 ' A' ' 42' ' ' LEU . 43.4 mt-30 -51.65 -26.1 8.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.26 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.34 -84.75 0.51 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' C ' ' CG2' ' A' ' 17' ' ' VAL . . . 127.94 79.07 0.26 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.61 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -149.76 -174.97 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.61 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.6 tptt -76.07 -146.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -109.38 -46.24 3.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' THR . 4.4 mt-10 -63.97 -19.49 65.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.05 -14.36 36.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 ' C ' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t -131.63 39.04 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 81.9 p -42.87 165.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.092 . . . . 0.0 110.38 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -53.27 -38.97 63.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.84 33.7 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.66 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -67.97 150.39 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -102.21 -177.19 3.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -127.27 -63.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.94 HG22 ' HB2' ' A' ' 34' ' ' ALA . 44.2 t -66.07 -17.06 21.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.58 -34.08 6.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.282 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 27' ' ' SER . 2.7 t0 -84.18 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ALA . 2.9 mm? -98.06 29.14 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.11 29.07 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.94 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 49.81 92.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 0.743 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.97 158.93 15.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.438 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -66.02 -52.2 51.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 48.1 mt -52.31 -28.51 19.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -59.01 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.819 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.6 m -61.82 -25.26 67.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 110.433 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 36' ' ' SER . 75.3 t -84.79 -43.58 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.543 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.6 mm-40 -60.97 -25.09 66.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.712 HD12 ' OE1' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -79.82 -17.29 53.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 39' ' ' THR . 19.5 t -91.94 -20.27 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 10.5 mtt -105.48 -38.46 6.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.63 -47.08 70.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 28.8 mt -70.13 -32.03 69.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -73.25 -51.33 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' MET . 2.5 tm-20 -59.52 -12.36 6.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.57 -73.49 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.436 ' O ' ' HB3' ' A' ' 51' ' ' ASP . 1.4 m-85 -109.78 -8.76 14.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 65.81 96.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.739 ' O ' HG23 ' A' ' 52' ' ' THR . 12.8 t -164.54 63.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.56 ' C ' ' O ' ' A' ' 52' ' ' THR . 5.4 pt-20 -25.17 109.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.842 HD11 HD12 ' A' ' 62' ' ' ILE . 15.3 tt -82.62 137.16 44.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -174.1 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.534 1.807 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.64 -15.43 28.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -80.37 -52.08 8.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.67 -21.62 54.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.83 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.06 -46.18 85.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.12 -4.89 35.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.842 HD12 HD11 ' A' ' 54' ' ' ILE . 17.4 mt -128.11 30.44 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.62 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 7.1 t -73.17 -2.57 22.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.09 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 57.4 p -106.41 -163.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.66 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 2.2 t -107.23 -53.47 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -56.47 -16.96 6.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -70.94 -29.54 65.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.59 6.15 28.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.497 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -112.44 -25.17 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.47 -34.93 17.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -76.41 -37.28 57.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 9.9 mm -74.05 -32.96 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -56.61 -16.61 6.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -37.14 -30.42 0.04 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.461 1.101 . . . . 0.0 111.027 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -48.11 -32.84 7.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 0.74 . . . . 0.0 109.571 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -41.63 -32.41 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.28 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -117.89 161.57 19.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 1.005 HD12 HG22 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -49.85 -64.58 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.339 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.628 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -44.83 -57.13 3.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.448 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 1.4 tt0 -37.01 -49.74 0.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -70.24 -42.57 72.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.779 ' O ' HD12 ' A' ' 11' ' ' ILE . 89.9 t -51.57 -46.57 37.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.477 ' NZ ' HG11 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -62.01 -45.29 94.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -51.19 -64.25 0.87 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.867 HG21 ' HB1' ' A' ' 45' ' ' ALA . 2.6 mm -47.14 -56.6 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.3 mt -51.61 -45.55 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.18 -26.56 21.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.71 -46.44 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.489 ' OE1' ' HB2' ' A' ' 45' ' ' ALA . 18.4 mt-30 -42.2 -29.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD13 ' CD2' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -121.62 -59.85 1.65 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.5 76.57 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.67 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -159.68 179.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -95.8 -145.9 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.472 ' HG3' ' CB ' ' A' ' 8' ' ' LYS . 20.2 tt0 -102.24 -47.01 4.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -76.28 -14.7 60.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.68 -15.12 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.115 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' ' 23' ' ' THR . 17.2 t -127.16 33.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.527 ' C ' ' O ' ' A' ' 22' ' ' VAL . 4.7 p 28.13 -140.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 110.374 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.432 ' N ' ' OG1' ' A' ' 23' ' ' THR . 21.4 m120 -142.37 36.03 1.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -176.18 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -76.4 142.7 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.27 -169.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.622 ' CD1' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -133.87 -59.58 0.84 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 58.0 t -62.71 -18.5 21.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -110.2 -52.66 2.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.549 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 31.0 t0 -63.54 -66.09 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.018 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.5 mt -90.15 18.35 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' ALA . . . 40.69 25.92 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.118 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 52.96 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -117.57 136.08 53.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.78 -46.37 41.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 24.8 mt -57.76 -33.04 68.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.6 ' OD2' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -70.24 -54.31 13.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 43' ' ' VAL . 22.8 m -62.84 -29.9 71.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.9 t -81.44 -42.5 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 3.7 mm-40 -61.18 -22.01 64.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD23 HG21 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -75.02 -32.25 61.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.4 t -77.68 -26.49 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.8 mmt -92.15 -42.36 9.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.996 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.867 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.81 -50.75 72.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.922 HD22 HD11 ' A' ' 72' ' ' ILE . 3.4 mt -65.49 -28.18 69.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -72.61 -53.93 10.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -12.51 26.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.28 -74.63 0.43 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 75' ' ' HIS . 1.8 m-85 -120.33 20.61 11.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 14.4 t70 39.8 67.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.25 -40.68 5.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.428 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 74.73 95.87 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.809 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.96 131.84 43.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.02 -168.22 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.581 1.832 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.95 -15.58 23.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -82.41 -61.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.55 -17.04 62.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.259 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -67.71 -42.89 81.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 63' ' ' THR . 48.8 tt0 -61.6 -25.64 67.47 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.96 4.59 41.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 62' ' ' ILE . 19.9 mt -136.67 28.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.4 p -53.66 -58.62 6.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -48.41 179.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG11 ' NZ ' ' A' ' 8' ' ' LYS . 15.0 t -91.95 -59.14 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.7 tp60 -48.29 -21.88 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 65' ' ' VAL . . . -67.06 -30.84 71.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -82.88 6.85 17.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.629 HD13 ' HA ' ' A' ' 66' ' ' GLN . 1.8 mp -110.87 -35.77 2.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -75.86 -40.08 55.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -73.7 -34.26 64.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.005 HG22 HD12 ' A' ' 3' ' ' ILE . 19.9 mm -76.79 -33.91 22.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -50.01 -27.05 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.09 -28.43 0.08 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -67.73 -77.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.583 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.59 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 38.72 -159.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.29 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 109.347 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.45 ' OG ' ' NH1' ' A' ' 6' ' ' ARG . 20.7 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.5 p -90.58 176.02 6.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.641 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -57.55 -65.16 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.641 ' N ' HG22 ' A' ' 3' ' ' ILE . 12.4 tt0 -49.34 -39.86 33.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.89 -37.35 63.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.298 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' NH1' ' OG ' ' A' ' 1' ' ' SER . 1.8 mtp85 -82.16 -16.87 48.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.698 HG11 HG13 ' A' ' 69' ' ' ILE . 63.1 t -80.67 -59.35 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -54.5 -17.69 3.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 4.0 tttm -79.04 -63.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.704 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.4 mm -50.47 -37.92 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' OE1' ' A' ' 14' ' ' GLN . 17.5 mm -51.51 -40.94 26.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.61 -29.59 61.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 -39.98 19.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 110.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' OE1' HD13 ' A' ' 11' ' ' ILE . 58.8 mt-30 -49.46 -30.69 8.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.928 HD12 ' CG2' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -133.0 -87.28 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.04 76.79 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.928 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -154.24 -178.45 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 0.774 . . . . 0.0 109.302 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -145.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.85 -31.98 7.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -82.18 -5.73 58.68 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 -14.55 18.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.725 HG12 HG21 ' A' ' 65' ' ' VAL . 5.1 t -135.67 40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -38.75 158.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -65.45 76.91 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 23' ' ' THR . 23.2 t-20 174.6 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 31' ' ' ASP . . . -38.47 119.57 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -100.71 110.53 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.972 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 29' ' ' VAL . 92.8 m-85 -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . 55.5 t -36.9 -34.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 28' ' ' PHE . 1.1 mt-10 -125.31 -48.39 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.507 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . 3.1 t0 -40.11 -39.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HD13 ' A' ' 15' ' ' LEU . 7.5 mt -148.7 37.72 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' LEU . . . 37.6 30.35 0.06 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.551 1.157 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 51.56 99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -106.04 156.5 18.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -64.17 -56.1 17.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.043 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 37.2 mt -53.99 -25.03 18.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -75.8 -57.19 4.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -68.11 -17.83 64.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 110.391 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG23 ' O ' ' A' ' 36' ' ' SER . 97.8 t -89.26 -39.99 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 3.6 mm-40 -63.1 -20.84 65.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -76.7 -29.35 56.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.531 ' HA ' HG22 ' A' ' 54' ' ' ILE . 29.5 t -78.51 -26.61 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 52.4 mtt -92.65 -42.05 9.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -56.79 -53.08 61.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.04 HD23 HD11 ' A' ' 72' ' ' ILE . 1.3 mt -64.87 -31.41 72.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -69.58 -42.7 74.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.62 -13.01 60.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 3.1 tp10 -81.25 -73.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -125.1 9.75 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.4 t70 60.5 60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.722 HG22 ' HB3' ' A' ' 46' ' ' LEU . 1.4 t -106.12 -19.58 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 7.4 pt-20 41.9 93.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.987 HD11 HD12 ' A' ' 62' ' ' ILE . 11.5 tt -79.9 137.89 53.8 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.99 -166.12 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -15.83 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -81.34 -57.64 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.01 -18.63 9.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -59.22 -40.85 87.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.5 -54.66 41.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -4.11 28.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.987 HD12 HD11 ' A' ' 54' ' ' ILE . 57.0 mt -128.5 31.13 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 59' ' ' ALA . 12.7 t -86.46 35.38 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.757 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 25.2 p -141.55 168.23 20.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 110.364 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.725 HG21 HG12 ' A' ' 22' ' ' VAL . 74.6 t -74.39 -62.12 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -50.81 -20.38 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.757 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -69.39 -26.74 64.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.99 3.75 47.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.698 HG13 HG11 ' A' ' 7' ' ' VAL . 1.9 mp -110.59 -23.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.83 -35.95 17.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -76.85 -35.72 57.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.04 HD11 HD23 ' A' ' 46' ' ' LEU . 49.6 mm -76.43 -33.92 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -29.34 7.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -50.25 -20.87 3.77 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.53 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -51.83 -57.07 10.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.62 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.525 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.6 OUTLIER -118.44 164.83 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.4 ' OG1' ' CB ' ' A' ' 5' ' ' GLU . 0.7 OUTLIER -125.32 171.29 10.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.394 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.769 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -60.51 -79.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.769 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.2 tt0 -43.39 -39.36 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.332 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.4 ' CB ' ' OG1' ' A' ' 2' ' ' THR . 1.5 tt0 -45.24 -73.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -38.51 -52.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.835 HG21 ' CD1' ' A' ' 69' ' ' ILE . 16.7 t -45.88 -57.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' NZ ' ' O ' ' A' ' 22' ' ' VAL . 1.6 mmmp? -49.37 -48.98 46.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 -63.68 1.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.879 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.9 mm -54.96 -53.43 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.654 HD12 HG22 ' A' ' 65' ' ' VAL . 1.3 mm -48.03 -47.31 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -57.02 -35.24 68.15 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 14' ' ' GLN . 1.4 tt0 -73.75 -44.95 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.508 ' O ' HD23 ' A' ' 15' ' ' LEU . 25.9 mt-30 -37.55 -45.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.279 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.737 HD12 HD22 ' A' ' 32' ' ' LEU . 20.3 mt -121.55 -76.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.82 44.46 0.04 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.3 t -94.34 -178.93 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -94.14 -145.65 0.25 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -114.43 -15.96 12.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' HA ' HG22 ' A' ' 23' ' ' THR . 0.7 OUTLIER -95.41 -27.42 15.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.86 -13.11 56.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.847 ' CG1' HG21 ' A' ' 65' ' ' VAL . 39.7 t -138.13 45.66 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.442 ' H ' HG23 ' A' ' 23' ' ' THR . 27.3 p -48.93 -179.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.394 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -82.64 49.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 174.16 36.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.37 159.01 16.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.8 m -89.46 -173.5 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.637 ' CD1' HD12 ' A' ' 32' ' ' LEU . 4.8 m-85 -128.7 -37.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.798 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 95.5 t -40.14 -66.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -98.37 -42.48 7.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -49.15 -51.56 31.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 HD12 ' A' ' 15' ' ' LEU . 63.8 mt -109.87 18.53 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.466 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 49.27 19.19 1.63 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.798 ' HB2' ' HA ' ' A' ' 29' ' ' VAL . . . 35.43 79.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -98.7 157.49 16.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.569 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.02 -51.88 59.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -52.41 -27.67 16.79 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' OD2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -68.4 -57.76 5.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.2 m -58.09 -34.38 70.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 36' ' ' SER . 43.7 t -77.23 -43.04 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.6 mm-40 -60.86 -24.58 66.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.21 55.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.823 HG13 ' O ' ' A' ' 54' ' ' ILE . 4.3 t -82.99 -25.03 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -94.36 -37.64 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.33 -54.39 47.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.102 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.06 HD22 HD11 ' A' ' 72' ' ' ILE . 14.7 mt -64.52 -27.25 68.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -73.36 -42.79 61.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.39 -13.99 59.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -85.24 -68.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.797 ' CZ ' ' CE1' ' A' ' 75' ' ' HIS . 1.7 m-85 -133.67 32.55 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 30.3 t70 39.96 52.27 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.431 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -92.24 -23.36 19.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 4.1 pt-20 40.75 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.823 ' O ' HG13 ' A' ' 43' ' ' VAL . 6.0 tt -77.39 138.76 63.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.03 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.451 1.764 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.62 -14.64 15.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.69 -61.02 1.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.408 ' O ' ' CG1' ' A' ' 62' ' ' ILE . 0.6 OUTLIER -65.64 -23.79 66.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -65.09 -43.19 92.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 63' ' ' THR . 15.8 mt-10 -59.83 -42.6 93.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.26 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 8.29 19.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 62' ' ' ILE . 94.4 mt -134.89 20.43 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.902 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.1 p -50.8 -60.84 2.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' THR . 3.1 p -38.13 157.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.847 HG21 ' CG1' ' A' ' 22' ' ' VAL . 4.6 t -74.78 -34.65 34.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -36.37 82.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 110.272 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.671 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -67.25 -13.34 61.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.545 ' C ' HD13 ' A' ' 69' ' ' ILE . . . -94.0 0.19 55.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.835 ' CD1' HG21 ' A' ' 7' ' ' VAL . 6.6 mm -103.54 -38.04 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -39.1 93.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -76.29 -28.81 57.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 HD22 ' A' ' 46' ' ' LEU . 21.5 mm -83.0 -33.6 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' HA ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -59.42 -16.58 24.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.72 -12.27 77.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.797 ' CE1' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -71.22 -53.88 12.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.622 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.9 OUTLIER -68.6 -175.76 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.1 p -74.52 171.02 14.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.792 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.5 OUTLIER -46.75 -74.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.735 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.67 -51.0 41.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 4' ' ' GLU . 5.7 tt0 -38.68 -57.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.69 -38.05 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.792 HG23 ' O ' ' A' ' 3' ' ' ILE . 62.7 t -57.35 -62.44 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.24 -46.49 24.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.87 -64.43 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -43.97 -53.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 7' ' ' VAL . 1.4 mp -56.58 -36.23 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.66 -5.27 55.99 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.75 -19.23 12.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.753 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -67.46 -14.84 63.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.013 HD22 ' HG ' ' A' ' 32' ' ' LEU . 3.1 pp -142.34 -44.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.15 79.53 1.17 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.741 ' CG1' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -137.84 -178.15 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.556 0.798 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.56 -144.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -93.92 -47.7 6.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 23' ' ' THR . 0.6 OUTLIER -63.81 -22.1 66.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.62 -13.38 48.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' ' O ' ' A' ' 23' ' ' THR . 4.3 t -127.04 39.03 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 20' ' ' GLU . 61.6 p -42.47 167.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.426 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 66' ' ' GLN . 1.8 p30 -63.04 -40.33 97.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -108.89 54.26 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.839 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -92.62 165.26 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.01 177.54 6.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 33' ' ' GLY . 71.3 m-85 -116.47 -44.21 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.139 HG22 ' HB2' ' A' ' 34' ' ' ALA . 40.1 t -77.5 -19.37 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -17.48 15.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -108.98 -66.8 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.013 ' HG ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -91.84 22.65 4.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 40.09 27.06 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.139 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 61.97 119.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -132.88 155.93 48.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.536 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -61.54 -58.46 8.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLU . 40.3 mt -52.7 -29.88 29.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -71.03 -54.92 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 43' ' ' VAL . 52.5 m -72.23 -9.47 58.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.369 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 36' ' ' SER . 44.6 t -98.48 -43.25 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.523 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mt-10 -68.02 -21.49 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -75.66 -29.68 59.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 25.2 t -85.84 -24.2 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.09 -29.68 15.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -67.01 -47.85 70.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 72' ' ' ILE . 10.7 mt -69.22 -30.88 69.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' CA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -70.72 -49.96 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -12.89 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -88.9 -68.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.728 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.7 m-85 -128.58 28.41 5.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' GLU . 19.9 t70 37.95 34.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.728 HG23 ' HB3' ' A' ' 50' ' ' PHE . 0.9 OUTLIER -79.86 -30.84 40.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.432 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.573 ' CG ' ' O ' ' A' ' 52' ' ' THR . 2.0 pt-20 55.31 148.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.794 ' CD1' HD12 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -134.18 131.15 20.58 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.99 -179.91 5.45 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.35 -15.06 57.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -83.09 -61.29 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.47 -16.15 33.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.3 97.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' O ' HG22 ' A' ' 63' ' ' THR . 2.5 tt0 -56.73 -45.38 81.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.259 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -1.86 25.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.794 HD12 ' CD1' ' A' ' 54' ' ' ILE . 50.1 mt -131.03 32.37 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 60' ' ' GLU . 10.1 t -86.91 35.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' A' ' 67' ' ' ALA . 1.7 p -141.26 -173.32 3.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.839 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 53.5 t -90.46 -66.79 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 24' ' ' ASN . 3.1 tp60 -50.06 -28.01 6.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' CB ' ' OG1' ' A' ' 64' ' ' THR . . . -67.66 -30.97 70.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -85.61 4.42 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.558 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.9 mp -111.76 -28.57 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.53 -35.71 60.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -75.71 -36.4 60.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.882 HD11 HD22 ' A' ' 46' ' ' LEU . 29.8 mm -75.38 -34.28 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -49.63 -28.01 5.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.49 -17.86 9.27 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -60.3 -37.24 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.588 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 73' ' ' ASN . 1.3 pp0? -140.76 78.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 ' N ' ' HB3' ' A' ' 5' ' ' GLU . 11.9 p -74.95 164.29 26.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.444 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.524 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -45.7 -55.2 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -59.3 -48.16 82.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.424 ' HB3' ' N ' ' A' ' 2' ' ' THR . 3.7 tt0 -46.83 -25.51 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -92.35 -28.57 16.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 99.1 t -69.87 -47.24 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.344 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.534 ' C ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.38 -9.99 39.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 3.1 tmtt? -84.86 -63.18 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.2 mt -55.11 -40.23 53.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 2.1 mm -52.23 -33.28 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.51 -7.09 78.34 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -109.86 -37.73 5.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 0.785 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -38.8 -51.76 1.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -115.17 -34.83 4.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.426 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 112.12 78.83 0.93 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -150.53 -178.83 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -94.65 -145.35 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.37 -44.96 3.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.25 -24.95 65.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.65 -14.21 56.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.494 HG21 HG21 ' A' ' 17' ' ' VAL . 21.3 t -136.39 40.98 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.9 p -40.91 162.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 4.9 p-10 -66.05 75.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 23' ' ' THR . 3.0 t30 172.95 -33.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' ' 65' ' ' VAL . . . -39.18 131.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.76 -176.38 5.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.972 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 33' ' ' GLY . 2.2 m-85 -121.34 -65.47 1.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.031 HG22 ' HB2' ' A' ' 34' ' ' ALA . 19.7 t -74.55 -19.89 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -13.46 16.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.29 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -110.88 -67.66 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.538 ' CD2' HD13 ' A' ' 15' ' ' LEU . 8.3 mt -97.9 27.55 4.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 39.37 27.82 0.09 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.05 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.031 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 52.28 100.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -98.71 132.96 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 40' ' ' VAL . 83.5 p -45.8 -48.41 15.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.6 mt -57.54 -37.3 72.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.0 -51.17 27.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.669 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.4 m -64.2 -27.24 68.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.434 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' SER . 11.1 t -83.74 -43.78 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.65 -19.81 65.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.66 -29.62 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.845 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -80.8 -27.96 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mmt -87.97 -38.35 15.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -61.57 -45.94 92.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.996 HD21 HD11 ' A' ' 72' ' ' ILE . 59.2 mt -69.88 -28.88 66.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' CG ' ' HG2' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -72.19 -50.38 28.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.29 -12.61 57.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.83 -68.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 1.7 m-85 -128.15 25.64 5.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 47' ' ' GLU . 43.0 t0 37.54 58.66 1.3 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.48 -46.35 6.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.389 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' HG2' ' CG ' ' A' ' 47' ' ' GLU . 7.2 mt-10 77.45 95.41 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.845 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -82.23 127.43 71.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.437 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.01 -165.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.0 -16.45 22.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -82.45 -60.38 2.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.86 -16.14 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' ILE . . . -65.64 -49.19 69.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.609 ' HA ' HG23 ' A' ' 63' ' ' THR . 4.0 tt0 -53.46 -36.59 61.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.42 3.85 20.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.417 1.073 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.666 HG22 ' O ' ' A' ' 62' ' ' ILE . 68.8 mt -136.75 34.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.609 HG23 ' HA ' ' A' ' 60' ' ' GLU . 1.3 p -84.76 28.62 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.413 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.62 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 10.5 p -125.58 -160.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HD12 ' A' ' 69' ' ' ILE . 60.8 t -109.6 -49.94 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.98 -6.05 30.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.62 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -75.81 -38.55 58.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.566 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -82.95 6.01 20.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 65' ' ' VAL . 1.4 mp -115.47 -19.82 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.68 -38.68 10.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -45.34 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.996 HD11 HD21 ' A' ' 46' ' ' LEU . 2.4 mp -66.97 -33.9 66.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -44.57 -33.26 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -39.39 -28.15 0.1 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HB2' ' CE2' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -47.5 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.633 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.23 133.65 56.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.6 p -85.23 164.84 17.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.882 HD12 HG22 ' A' ' 72' ' ' ILE . 1.3 mm -42.79 -80.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.762 ' N ' HG22 ' A' ' 3' ' ' ILE . 16.8 tt0 -42.16 -51.72 4.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -43.06 -70.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 7' ' ' VAL . 10.0 mtp180 -50.65 -59.33 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 3' ' ' ILE . 40.3 t -40.11 -61.62 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.572 ' HD2' HD11 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -47.02 -56.32 6.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.9 tptt -44.52 -63.58 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.656 HG22 ' OE1' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -45.01 -62.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.498 ' CD1' HG12 ' A' ' 7' ' ' VAL . 1.5 mt -47.44 -50.24 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -51.89 -34.53 37.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.519 1.137 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.13 -20.58 57.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 0.767 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.656 ' OE1' HG22 ' A' ' 10' ' ' ILE . 13.9 mt-30 -82.82 9.38 9.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD13 HD11 ' A' ' 32' ' ' LEU . 0.4 OUTLIER -154.22 -65.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.587 ' O ' ' C ' ' A' ' 17' ' ' VAL . . . 163.36 78.84 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.587 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.0 m -24.87 116.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.69 -148.21 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -128.73 -41.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.348 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.42 -5.73 26.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.277 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -105.91 -13.46 15.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.755 ' O ' HG12 ' A' ' 22' ' ' VAL . 78.2 t -126.47 37.39 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.702 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 17.8 p -65.79 179.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 56.5 m-80 -69.33 -62.71 1.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -91.11 35.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.973 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . . . -64.02 129.44 40.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -79.83 -170.27 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.973 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.614 ' CE1' ' O ' ' A' ' 63' ' ' THR . 2.8 m-85 -140.77 -44.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.058 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 78.3 t -44.91 -49.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.55 -45.55 3.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -46.57 -52.4 13.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.672 HD11 HD13 ' A' ' 15' ' ' LEU . 3.8 mm? -113.26 22.94 13.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 34' ' ' ALA . . . 36.94 30.56 0.04 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 37.59 83.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 0.719 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 38' ' ' ASP . 3.3 m-20 -94.39 129.95 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.779 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -46.52 -36.54 6.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 51.6 mt -65.35 -37.54 87.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.3 OUTLIER -68.58 -48.47 64.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 HG21 ' OD1' ' A' ' 56' ' ' ASP . 35.7 m -64.93 -35.37 80.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 110.437 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 36' ' ' SER . 93.2 t -78.45 -39.96 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.7 mm-40 -63.24 -18.97 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD23 HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -76.1 -36.4 58.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.846 HG13 ' O ' ' A' ' 54' ' ' ILE . 5.4 t -76.27 -25.63 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 31.1 mtt -91.54 -41.69 10.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -58.46 -50.74 72.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD22 HD11 ' A' ' 72' ' ' ILE . 3.3 mt -66.35 -31.66 72.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -68.78 -47.07 67.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -13.65 61.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' OE2' HD12 ' A' ' 72' ' ' ILE . 0.4 OUTLIER -86.96 -68.89 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.634 ' HB3' HG23 ' A' ' 52' ' ' THR . 1.6 m-85 -130.83 31.75 4.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' PHE . 18.6 t70 39.59 35.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.634 HG23 ' HB3' ' A' ' 50' ' ' PHE . 1.3 p -75.38 -22.4 57.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 5.4 pt-20 40.44 92.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.846 ' O ' HG13 ' A' ' 43' ' ' VAL . 14.7 tt -91.72 137.65 25.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.517 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.01 -169.28 0.61 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.501 1.79 . . . . 0.0 110.945 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.44 ' OD1' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -100.88 -14.82 17.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.357 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.46 -56.89 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.357 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -69.69 -20.74 63.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 55' ' ' PRO . . . -68.22 -32.16 72.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' THR . 4.5 mt-10 -56.7 -41.21 77.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.13 7.21 19.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.639 HD12 HD11 ' A' ' 54' ' ' ILE . 17.2 mt -134.22 22.01 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.905 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.7 p -58.08 -61.96 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -39.15 159.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.41 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.973 ' CG2' ' HB3' ' A' ' 26' ' ' ALA . 61.5 t -69.88 -61.23 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.679 ' HA ' HD13 ' A' ' 69' ' ' ILE . 3.8 tp60 -49.02 -22.07 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.09 -29.87 68.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.749 ' O ' HG11 ' A' ' 7' ' ' VAL . . . -81.99 4.34 23.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.679 HD13 ' HA ' ' A' ' 66' ' ' GLN . 3.2 mp -109.84 -40.72 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.11 -30.34 69.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -80.15 -40.18 27.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.882 HG22 HD12 ' A' ' 3' ' ' ILE . 42.9 mm -72.12 -34.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -51.21 -24.18 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -57.89 -15.64 21.12 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.775 ' HD2' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -81.0 -62.23 1.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.422 HE21 ' CD2' ' A' ' 75' ' ' HIS . 0.3 OUTLIER -68.42 99.55 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.299 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.8 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.6 p -108.4 170.29 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.415 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.72 HG22 ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -54.26 -72.27 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.72 ' N ' HG22 ' A' ' 3' ' ' ILE . 1.8 tm-20 -40.59 -50.04 2.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -44.39 -46.54 9.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -74.57 -38.3 62.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.69 ' O ' HD12 ' A' ' 11' ' ' ILE . 81.7 t -53.27 -59.95 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.706 ' HZ1' ' HA ' ' A' ' 24' ' ' ASN . 2.9 mptt -48.87 -52.82 22.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -48.52 -64.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.629 HG21 ' HB1' ' A' ' 45' ' ' ALA . 1.1 mm -44.72 -57.17 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.736 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.0 mt -52.59 -35.01 20.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' LYS . . . -70.68 -8.44 63.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.3 -32.09 7.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.758 ' OE1' HD12 ' A' ' 42' ' ' LEU . 85.5 mt-30 -43.87 -31.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 110.279 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 17' ' ' VAL . 2.2 pt? -131.63 -47.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.43 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 109.22 80.73 1.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.051 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.697 HG22 HD21 ' A' ' 15' ' ' LEU . 2.6 m -139.11 -175.76 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.354 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 -146.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -108.25 -46.69 3.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 23' ' ' THR . 2.0 tt0 -57.17 -20.62 27.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.78 -13.08 46.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.736 HG11 ' CG2' ' A' ' 11' ' ' ILE . 52.9 t -135.88 44.35 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.769 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 76.0 p -50.06 -176.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.456 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.706 ' HA ' ' HZ1' ' A' ' 8' ' ' LYS . 3.2 m-20 -65.53 -59.36 4.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -93.24 36.36 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -76.29 149.77 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -97.09 -167.73 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.734 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 2.0 m-85 -128.03 -85.76 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.059 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.748 HG23 ' CB ' ' A' ' 34' ' ' ALA . 2.6 t -53.92 -22.38 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.19 -19.37 18.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' SER . 7.2 t0 -110.01 -80.09 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.615 HD11 HG21 ' A' ' 17' ' ' VAL . 18.1 mt -89.61 31.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 37.94 28.1 0.04 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.748 ' CB ' HG23 ' A' ' 29' ' ' VAL . . . 34.53 84.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.47 155.34 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.91 -62.3 1.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.998 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -45.92 -29.59 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.22 -57.91 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' HG23 ' A' ' 43' ' ' VAL . 23.5 m -56.1 -36.39 68.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.418 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.15 -44.39 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' LEU . 2.4 mm-40 -60.43 -24.51 65.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.798 ' O ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -71.22 -36.98 72.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 54' ' ' ILE . 2.3 t -72.73 -27.08 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 53.9 mtt -88.98 -46.27 9.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 111.054 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -57.18 -47.87 80.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 72' ' ' ILE . 3.1 mt -67.97 -24.58 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.37 -49.55 14.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.06 -15.22 63.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.647 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 0.8 OUTLIER -75.81 -73.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.82 ' CE2' HG21 ' A' ' 52' ' ' THR . 2.1 p90 -133.07 15.3 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.34 80.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 50' ' ' PHE . 2.8 t -124.13 -9.04 7.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.112 . . . . 0.0 110.387 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' THR . 6.6 pt-20 35.86 88.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.634 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.2 OUTLIER -72.34 125.34 91.42 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.634 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 -165.67 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.465 1.771 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.69 -15.39 21.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.1 -62.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.58 ' OE1' ' CE1' ' A' ' 71' ' ' TYR . 5.0 mm-40 -57.67 -28.28 63.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.6 -38.12 59.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' HG23 ' A' ' 63' ' ' THR . 7.0 pt-20 -58.89 -15.86 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.946 ' C ' HD13 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -99.64 -15.39 18.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.946 HD13 ' C ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -109.59 17.5 7.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 109.334 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.628 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 28.7 p -50.5 -61.03 2.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.414 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 55.7 p -58.01 -160.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.597 HG21 HG13 ' A' ' 22' ' ' VAL . 45.0 t -105.99 -56.22 5.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.505 ' HA ' HD13 ' A' ' 69' ' ' ILE . 2.8 tp60 -51.61 -20.86 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.348 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 62' ' ' ILE . . . -69.84 -27.91 65.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.836 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -85.64 8.63 18.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.533 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.4 mp -111.99 -36.44 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -78.06 -38.19 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.58 ' CE1' ' OE1' ' A' ' 58' ' ' GLU . 3.8 t80 -76.53 -24.66 53.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 46' ' ' LEU . 1.8 mp -86.86 -34.05 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -51.25 -28.08 10.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -43.93 -25.14 0.59 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' N ' ' C ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -49.09 -55.1 13.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.602 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -74.74 -28.06 60.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.0 p -123.66 147.6 47.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.341 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.79 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -45.87 -61.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.614 ' N ' HG22 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -42.91 -47.18 5.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 1.6 pt-20 -38.31 -45.42 0.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 20.8 mtt85 -75.87 -39.14 57.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.848 HG11 HG13 ' A' ' 69' ' ' ILE . 75.6 t -56.33 -60.91 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.05 -39.15 12.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -61.39 -63.87 1.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG21 ' HB1' ' A' ' 45' ' ' ALA . 3.4 mm -52.07 -48.29 41.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mm -45.19 -39.25 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.37 82.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.6 mp0 -78.89 -18.51 53.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 0.777 . . . . 0.0 110.28 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 42' ' ' LEU . 2.9 tt0 -70.02 -33.83 72.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.056 HD22 HD12 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -128.94 -64.28 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.478 ' N ' HD12 ' A' ' 15' ' ' LEU . . . 134.07 80.4 0.14 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.828 HG11 HG21 ' A' ' 22' ' ' VAL . 13.3 p -155.33 174.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.617 ' H ' HG22 ' A' ' 17' ' ' VAL . 3.1 tptm -78.65 -142.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 -116.26 -42.49 3.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -72.02 -18.8 61.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.184 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -82.1 -13.76 56.78 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.828 HG21 HG11 ' A' ' 17' ' ' VAL . 68.2 t -139.24 43.77 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 25' ' ' ASN . 1.2 p -44.07 168.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.399 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' HA ' HG12 ' A' ' 65' ' ' VAL . 84.1 m-20 -66.04 74.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 26' ' ' ALA . 1.6 t30 172.67 -31.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 109.348 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.625 ' HB3' HG21 ' A' ' 65' ' ' VAL . . . -36.3 132.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.58 -170.4 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.97 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.599 ' CE2' ' OD2' ' A' ' 38' ' ' ASP . 2.9 m-85 -125.35 -58.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.024 HG22 ' HB2' ' A' ' 34' ' ' ALA . 21.7 t -73.63 -20.6 18.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.84 -16.12 18.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -108.66 -74.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.056 HD12 HD22 ' A' ' 15' ' ' LEU . 8.2 mt -92.45 28.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.3 28.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 1.024 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 51.43 98.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.259 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.31 160.42 14.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -65.71 -59.3 4.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.012 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 62.9 mt -47.83 -29.27 3.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.599 ' OD2' ' CE2' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -71.03 -60.77 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.5 m -63.87 -19.6 65.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.377 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 36' ' ' SER . 77.2 t -88.86 -42.28 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 2.3 mm-40 -62.44 -24.39 67.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.583 HD23 HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -77.44 -24.85 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 ' O ' ' A' ' 39' ' ' THR . 12.0 t -84.86 -25.35 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 44.2 mtp -96.22 -40.53 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -59.46 -50.44 73.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.997 HD22 HD11 ' A' ' 72' ' ' ILE . 86.3 mt -66.76 -30.56 70.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 0.1 OUTLIER -70.74 -45.15 65.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.53 -14.21 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -84.15 -69.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.409 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.7 m-85 -133.44 31.77 3.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' GLU . 20.3 t70 39.4 63.06 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.86 -23.84 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' HB3' ' CG ' ' A' ' 47' ' ' GLU . 9.6 pt-20 41.39 91.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.737 ' HB ' HD12 ' A' ' 46' ' ' LEU . 3.1 tt -80.24 131.72 61.56 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.99 -166.38 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.552 1.817 . . . . 0.0 111.041 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.14 -19.7 18.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -78.12 -40.76 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.334 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HD12 ' A' ' 62' ' ' ILE . 1.0 OUTLIER -75.92 -16.39 60.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -65.81 -40.32 91.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.47 -53.46 56.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.303 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 61' ' ' LYS . 0.6 OUTLIER -73.65 -4.43 34.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.729 HD13 HD11 ' A' ' 54' ' ' ILE . 32.6 mt -127.46 30.41 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . 9.0 t -83.29 18.91 1.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.554 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 82.6 p -116.91 -158.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG21 ' HB3' ' A' ' 26' ' ' ALA . 21.0 t -109.86 -57.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.6 tp60 -58.07 -15.04 7.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.34 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.554 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -71.9 -30.79 65.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.36 2.35 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.848 HG13 HG11 ' A' ' 7' ' ' VAL . 3.6 mt -112.01 -22.98 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.64 -33.9 17.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -77.38 -38.11 50.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.997 HD11 HD22 ' A' ' 46' ' ' LEU . 20.9 mm -74.02 -34.61 39.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.7 -26.18 5.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -54.4 -17.78 8.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.547 1.154 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' CG ' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -57.1 -61.66 2.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 109.605 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER -59.84 135.28 57.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.0 p -100.47 178.24 4.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.795 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -61.86 -68.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' HG22 ' A' ' 3' ' ' ILE . 3.0 tm-20 -44.69 -28.12 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' O ' ' HD2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -57.48 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.256 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -44.97 -24.73 0.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG11 HG13 ' A' ' 69' ' ' ILE . 45.8 t -75.5 -57.33 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -58.97 -16.13 16.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 1.1 tmtt? -79.1 -63.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.648 HG21 ' HB1' ' A' ' 45' ' ' ALA . 0.2 OUTLIER -57.12 -40.67 74.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.508 HD13 ' OE1' ' A' ' 14' ' ' GLN . 2.7 mm -46.76 -61.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 17' ' ' VAL . . . -47.38 -35.61 10.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.03 -38.62 72.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 1.018 ' HG2' HD23 ' A' ' 15' ' ' LEU . 2.0 pt20 -52.51 -28.25 19.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.018 HD23 ' HG2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -115.54 -97.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.585 ' C ' HG13 ' A' ' 17' ' ' VAL . . . -156.22 20.8 0.49 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.123 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.585 HG13 ' C ' ' A' ' 16' ' ' GLY . 1.3 m 57.11 116.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.766 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.11 -153.43 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -119.76 -43.6 2.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 2.0 pt-20 -93.49 1.01 56.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 mt-10 -102.3 -12.15 18.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 22' ' ' VAL . 23.8 t -122.8 35.94 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.537 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 60.4 p -75.77 -133.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.392 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -145.37 28.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 170.85 41.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.098 . . . . 0.0 109.336 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.806 ' HB1' ' OD2' ' A' ' 31' ' ' ASP . . . -90.81 164.55 14.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.352 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.6 OUTLIER -100.35 -175.8 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 63' ' ' THR . 4.4 m-85 -126.93 -60.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.943 HG22 ' HB2' ' A' ' 34' ' ' ALA . 42.9 t -67.16 -18.14 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.52 -30.79 8.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.806 ' OD2' ' HB1' ' A' ' 26' ' ' ALA . 5.2 t0 -87.84 -66.95 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.623 ' CD1' HD22 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -97.46 27.95 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 38.01 29.6 0.06 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.943 ' HB2' HG22 ' A' ' 29' ' ' VAL . . . 44.14 91.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -97.67 161.08 13.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.491 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -65.32 -61.12 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.001 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.2 mt -50.12 -32.71 16.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 43' ' ' VAL . 18.0 m -64.47 -20.6 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.368 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 36' ' ' SER . 69.6 t -89.51 -45.04 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.22 -22.38 66.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 46' ' ' LEU . 5.0 tt -75.25 -32.47 61.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.351 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 39' ' ' THR . 97.7 t -78.87 -25.1 13.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.42 -40.54 11.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB1' HG21 ' A' ' 10' ' ' ILE . . . -54.61 -49.56 70.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.06 ' CD2' HD11 ' A' ' 72' ' ' ILE . 1.9 mt -66.85 -32.53 73.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -68.01 -53.4 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -12.65 25.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -73.12 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -122.18 23.21 9.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.9 t0 39.44 67.19 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.1 t -113.43 -13.9 12.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 40.57 83.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.86 HG13 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -57.27 133.0 81.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.596 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.04 -168.17 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.68 -18.05 24.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -80.87 -59.14 2.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 54' ' ' ILE . 3.3 mt-10 -57.76 -17.58 16.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.77 -42.56 97.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -59.89 -43.37 94.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.53 -6.07 50.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.68 HG22 ' O ' ' A' ' 62' ' ' ILE . 80.0 mt -121.92 26.0 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.603 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 9.7 t -77.86 3.36 14.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.447 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 1.8 p -109.46 -167.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.794 HG21 ' HB3' ' A' ' 26' ' ' ALA . 98.9 t -101.65 -58.8 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -58.89 -15.29 11.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -72.82 -28.86 62.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -87.3 5.28 39.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.68 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -114.26 -34.32 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.07 -32.96 61.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -78.01 -33.01 51.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.06 HD11 ' CD2' ' A' ' 46' ' ' LEU . 44.6 mm -78.75 -34.62 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.409 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 0.6 OUTLIER -52.35 -26.02 11.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.17 -19.74 6.0 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.473 ' CD2' ' HG3' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -55.85 -54.05 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 109.591 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.473 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.8 OUTLIER -121.98 162.62 20.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 77.4 p -122.58 158.07 30.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.562 ' H ' HD12 ' A' ' 3' ' ' ILE . 0.7 OUTLIER -78.52 -35.43 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HB2' HG23 ' A' ' 69' ' ' ILE . 29.6 tt0 -38.61 -54.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 6' ' ' ARG . 6.1 pt-20 -42.85 -43.73 4.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' N ' ' CG ' ' A' ' 5' ' ' GLU . 6.4 mtt-85 -79.33 -29.36 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 3' ' ' ILE . 58.9 t -65.87 -62.44 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -42.44 13.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -63.06 -63.77 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.9 mm -49.88 -45.44 21.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 14' ' ' GLN . 3.3 mm -47.43 -33.09 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.61 -29.35 65.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -82.59 -16.42 48.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 0.759 . . . . 0.0 110.308 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.694 HE21 HD12 ' A' ' 42' ' ' LEU . 12.7 mm100 -59.25 -37.58 77.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.494 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.65 -56.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.421 ' N ' ' HG ' ' A' ' 15' ' ' LEU . . . 133.37 81.42 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.548 1.155 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 ' CG2' HG21 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -141.5 -178.95 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.42 0.718 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.27 -147.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -103.2 -40.38 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.78 -14.85 59.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.89 -14.06 30.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.685 HG12 HG21 ' A' ' 65' ' ' VAL . 18.1 t -129.9 37.2 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 p -41.01 159.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.399 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' HA ' HG12 ' A' ' 65' ' ' VAL . 68.5 m-80 -79.2 81.56 5.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.7 t30 172.42 -33.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.264 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.81 169.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.648 ' CB ' ' HB2' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -145.4 144.96 30.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.715 ' C ' ' HB2' ' A' ' 34' ' ' ALA . 90.5 m-85 -39.36 -71.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.675 ' N ' ' HB2' ' A' ' 34' ' ' ALA . 95.4 t -62.53 -18.44 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HB2' ' CB ' ' A' ' 27' ' ' SER . 18.4 mt-10 -79.14 -91.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 27' ' ' SER . 0.4 OUTLIER -136.4 7.85 3.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.582 1.176 . . . . 0.0 109.29 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 ' HB2' ' C ' ' A' ' 27' ' ' SER . 0.9 OUTLIER -87.73 17.07 5.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.345 179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 55.78 86.7 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.715 ' HB2' ' C ' ' A' ' 28' ' ' PHE . . . -72.77 68.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -95.36 132.69 40.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.691 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 m -47.31 -38.07 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 22.2 mt -63.95 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ASP . 0.2 OUTLIER -69.3 -51.51 36.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -64.72 -31.54 72.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.395 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 36' ' ' SER . 68.2 t -80.34 -40.49 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 45' ' ' ALA . 1.4 mm-40 -62.31 -20.96 64.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 HD12 HE21 ' A' ' 14' ' ' GLN . 0.3 OUTLIER -76.62 -29.64 56.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.75 HG13 ' O ' ' A' ' 54' ' ' ILE . 23.8 t -80.58 -26.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 48' ' ' GLU . 66.5 mtp -93.77 -39.75 10.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 41' ' ' GLU . . . -56.15 -48.41 76.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' HB ' ' A' ' 54' ' ' ILE . 46.9 mt -68.09 -32.79 73.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 53' ' ' GLU . 1.2 mm-40 -71.41 -37.54 71.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 44' ' ' MET . 0.0 OUTLIER -89.8 -14.79 33.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' ALA . 4.4 tm-20 -83.7 -63.52 1.33 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' CD1' ' OE2' ' A' ' 49' ' ' GLU . 1.4 m-85 -143.29 37.18 1.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.5 t70 43.92 69.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.488 ' O ' ' C ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -129.14 43.69 3.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.34 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.9 pt-20 -31.8 100.41 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.334 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.791 HD13 ' HD2' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -88.13 132.62 39.12 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 -171.18 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.38 -15.33 29.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -81.56 -56.33 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.71 -25.62 64.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.45 -48.42 80.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.915 ' O ' HG23 ' A' ' 63' ' ' THR . 27.8 mt-10 -57.78 -28.62 64.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.53 6.47 20.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 67' ' ' ALA . 30.9 mt -141.48 31.81 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.915 HG23 ' O ' ' A' ' 60' ' ' GLU . 46.4 p -48.49 -56.16 9.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.74 ' OG1' ' HB2' ' A' ' 67' ' ' ALA . 48.0 p -51.19 178.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.685 HG21 HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -96.95 -42.02 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -69.33 -7.39 36.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.74 ' HB2' ' OG1' ' A' ' 64' ' ' THR . . . -73.61 -31.86 63.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -85.04 10.59 11.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 4' ' ' GLU . 1.2 mp -114.76 -36.16 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -72.77 -35.23 67.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -76.3 -37.24 57.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.466 ' CG1' ' O ' ' A' ' 68' ' ' ALA . 22.6 mm -74.63 -34.08 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.62 -29.43 4.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.34 -21.28 2.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -54.18 40.21 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 109.599 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.45 -18.97 30.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.266 179.957 . . . . . . . . 0 0 . 1 stop_ save_